N-(3-chloro-4-fluorophenyl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D580-0342 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 498 |
| Molecular Formula: | C20 H21 Cl F N5 O3 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC(Nc1ccc(c(c1)[Cl])F)=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1052 |
| logD: | 3.0971 |
| logSw: | -3.5201 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.766 |
| InChI Key: | BJOATRWAXXFGFZ-UHFFFAOYSA-N |