539812-19-6
METHYL 4-[([[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETYL)AMINO]BENZOATE
Name
METHYL 4-[([[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETYL)AMINO]BENZOATE
Formula
C30 H32 N4 O4 S
MolWeight
544.673
1Identification
【Name】
METHYL 4-[([[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETYL)AMINO]BENZOATE
【CAS】
【MDL】
MFCD03460881
【English Synonyms】
【Formula】
C30 H32 N4 O4 S
【MolWeight】
544.673
【Inchi】
InChI=1S/C30H32N4O4S/c1-20-6-14-24(15-7-20)34-26(18-38-25-16-10-22(11-17-25)30(2,3)4)32-33-29(34)39-19-27(35)31-23-12-8-21(9-13-23)28(36)37-5/h6-17H,18-19H2,1-5H3,(H,31,35)
【InChIKey】
InChIKey=LWEJYSZOLGOZDU-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(cc3)C(=O)OC)COc4ccc(cc4)C(C)(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 4-[([[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETYL)AMINO]BENZOATE.cml
Quick Release
TOP Suppliers
Sigma-Aldrich Corporation
Catalog No:L445029-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
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Catalog No:L445029-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 539812-19-6 Suppliers>>