N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-5-{[(methanesulfonyl)(phenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-5-{[(methanesulfonyl)(phenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-5-{[(methanesulfonyl)(phenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D583-2331 |
| Compound Name: | N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-5-{[(methanesulfonyl)(phenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 494.03 |
| Molecular Formula: | C21 H24 Cl N5 O3 S2 |
| Smiles: | CCn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(Nc1c(C)cccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.144 |
| logD: | 3.1438 |
| logSw: | -3.4374 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.285 |
| InChI Key: | PQCYDGXBJBZQGK-UHFFFAOYSA-N |