My ChemCD

587002-96-8
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3,5-DIMETHOXYPHENYL)ACETAMIDE

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-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3,5-DIMETHOXYPHENYL)ACETAMIDE

Formula

C20 H21 N5 O3 S

MolWeight

411.484

CCD No.

CCD00439733

CAS

587002-96-8

MDL

MFCD04034036

1Identification

【Name】

2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3,5-DIMETHOXYPHENYL)ACETAMIDE

【CAS】

587002-96-8

【MDL】

MFCD04034036

【English Synonyms】

2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3,5-DIMETHOXYPHENYL)ACETAMIDE

【Formula】

C20 H21 N5 O3 S

【MolWeight】

411.484

【Inchi】

InChI=1S/C20H21N5O3S/c1-4-9-25-19(17-7-5-6-8-21-17)23-24-20(25)29-13-18(26)22-14-10-15(27-2)12-16(11-14)28-3/h4-8,10-12H,1,9,13H2,2-3H3,(H,22,26)

【InChIKey】

InChIKey=FZFMKANUOKDAHG-UHFFFAOYSA-N

【SMILES】

COc1cc(cc(c1)OC)NC(=O)CSc2nnc(n2CC=C)c3ccccn3

【MOL File】

2-[[4-ALLYL-5-(2-PYR….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:1

H bond acceptor:8

XLogP3:2.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3,5-DIMETHOXYPHENYL)ACETAMIDE.cml

Quick Release

TOP Suppliers

Sigma-Aldrich Corporation
Catalog No:L414808-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com

More 587002-96-8 Suppliers>>

587002-96-8 2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3,5-DIMETHOXYPHENYL)ACETAMIDE

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

587002-96-8
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3,5-DIMETHOXYPHENYL)ACETAMIDE