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530145-63-2
2-(N-(2-(((1H-IMIDAZOL-4-YL)METHYL)AMINO)-5-CYANOBENZYL)THIOPHENE-2-SULFONAMIDO)-3-PHENYLPROPYL BENZENESULFONATE

Directory: 1. Identification; 2. Chemical and Physical Properties; 3. Material Safety Data Sheet(MSDS); 4. CML File; 5. TOP Suppliers; 6. Related products

Name

2-(N-(2-(((1H-IMIDAZOL-4-YL)METHYL)AMINO)-5-CYANOBENZYL)THIOPHENE-2-SULFONAMIDO)-3-PHENYLPROPYL BENZENESULFONATE

Formula

C31 H29 N5 O5 S3

MolWeight

647.798

CCD No.

CCD06663213

CAS

530145-63-2

MDL

MFCD21604098

1Identification

【Name】

2-(N-(2-(((1H-IMIDAZOL-4-YL)METHYL)AMINO)-5-CYANOBENZYL)THIOPHENE-2-SULFONAMIDO)-3-PHENYLPROPYL BENZENESULFONATE

【CAS】

530145-63-2

【MDL】

MFCD21604098

【English Synonyms】

2-(N-(2-(((1H-IMIDAZOL-4-YL)METHYL)AMINO)-5-CYANOBENZYL)THIOPHENE-2-SULFONAMIDO)-3-PHENYLPROPYL BENZENESULFONATE

【Formula】

C31 H29 N5 O5 S3

【MolWeight】

647.798

【Inchi】

InChI=1S/C31H29N5O5S3/c32-18-25-13-14-30(34-20-27-19-33-23-35-27)26(16-25)21-36(43(37,38)31-12-7-15-42-31)28(17-24-8-3-1-4-9-24)22-41-44(39,40)29-10-5-2-6-11-29/h1-16,19,23,28,34H,17,20-22H2,(H,33,35)

【InChIKey】

InChIKey=OSQOXMGRPLYNOJ-UHFFFAOYSA-N

【SMILES】

c1ccc(cc1)CC(COS(=O)(=O)c2ccccc2)N(Cc3cc(ccc3NCc4c[nH]cn4)C#N)S(=O)(=O)c5cccs5

【MOL File】

2-(N-(2-(((1H-IMIDAZ….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:10

XLogP3:4.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

2-(N-(2-(((1H-IMIDAZOL-4-YL)METHYL)AMINO)-5-CYANOBENZYL)THIOPHENE-2-SULFONAMIDO)-3-PHENYLPROPYL BENZENESULFONATE.cml

Quick Release

TOP Suppliers

Ark Pharm, Inc.
Catalog No:AK-68796 nullnull
Country/Region:United States
Business Type:Others
http://www.arkpharminc.com

More 530145-63-2 Suppliers>>

530145-63-2 2-(N-(2-(((1H-IMIDAZOL-4-YL)METHYL)AMINO)-5-CYANOBENZYL)THIOPHENE-2-SULFONAMIDO)-3-PHENYLPROPYL BENZENESULFONATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】

【InChIKey】

【SMILES】

【MOL File】

2Chemical and Physical Properties

【Computed Properties】

3Material Safety Data Sheet(MSDS)

4CML File

TOP Suppliers

Related products

530145-63-2
2-(N-(2-(((1H-IMIDAZOL-4-YL)METHYL)AMINO)-5-CYANOBENZYL)THIOPHENE-2-SULFONAMIDO)-3-PHENYLPROPYL BENZENESULFONATE