AC1N5ELW
N-[[4-(3-chlorophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxybenzamide
Also Known As: Oprea1_627825|F0508-0318|N-{[4-(3-chlorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide|N-((4-(3-chlorophenyl)-5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-3,5-dimethoxybenzamide|N-[[4-(3-chlorophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxybenzamide
| Molecular Formula | C23H21ClN6O4S2 |
|---|---|
| Molecular Weight | 544.07544 g/mol |
| LogP | 4.0552 |
| Topological Polar Surface Area | 120.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 544.07544 |
| Monoisotopic Mass | 544.07544 |
| Heavy Atoms | 36 |
| Complexity | 1340.4052 |
Chemical Identifiers
| CAS Number | 391941-98-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC(=CC=C3)Cl)SCC(=O)NC4=NC=CS4)OC |
Product Overview
AC1N5ELW (CAS 391941-98-3), with molecular formula C23H21ClN6O4S2 and molecular weight 544.07544 g/mol. IUPAC: N-[[4-(3-chlorophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxybenzamide.
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