539808-80-5
2-[[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-ISOPROPYL-N-PHENYLACETAMIDE
Name
2-[[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-ISOPROPYL-N-PHENYLACETAMIDE
Formula
C31 H36 N4 O2 S
MolWeight
528.717
1Identification
【Name】
2-[[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-ISOPROPYL-N-PHENYLACETAMIDE
【CAS】
【MDL】
MFCD03460705
【English Synonyms】
【Formula】
C31 H36 N4 O2 S
【MolWeight】
528.717
【Inchi】
InChI=1S/C31H36N4O2S/c1-22(2)34(25-13-8-7-9-14-25)29(36)21-38-30-33-32-28(35(30)27-15-11-10-12-23(27)3)20-37-26-18-16-24(17-19-26)31(4,5)6/h7-19,22H,20-21H2,1-6H3
【InChIKey】
InChIKey=SMRBGZNCGYIXKC-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1n2c(nnc2SCC(=O)N(c3ccccc3)C(C)C)COc4ccc(cc4)C(C)(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-ISOPROPYL-N-PHENYLACETAMIDE.cml
Quick Release
TOP Suppliers
Sigma-Aldrich Corporation
Catalog No:L444189-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 539808-80-5 Suppliers>>
Catalog No:L444189-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 539808-80-5 Suppliers>>