AC1N4HSF
N-[[4-(3,4-dichlorophenyl)-5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0507-0052|N-((4-(3,4-dichlorophenyl)-5-((2-oxo-2-(m-tolylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide|N-{[4-(3,4-dichlorophenyl)-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide|N-[[4-(3,4-dichlorophenyl)-5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C25H21Cl2N5O2S |
|---|---|
| Molecular Weight | 525.0793 g/mol |
| LogP | 5.54332 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 525.0793 |
| Monoisotopic Mass | 525.0793 |
| Heavy Atoms | 35 |
| Complexity | 1361.2367 |
Chemical Identifiers
| CAS Number | 391897-40-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)CNC(=O)C4=CC=CC=C4 |
Product Overview
AC1N4HSF (CAS 391897-40-8), with molecular formula C25H21Cl2N5O2S and molecular weight 525.0793 g/mol. IUPAC: N-[[4-(3,4-dichlorophenyl)-5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
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