N-(5-chloro-2-hydroxyphenyl)-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-hydroxyphenyl)-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(5-chloro-2-hydroxyphenyl)-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D583-0671 |
| Compound Name: | N-(5-chloro-2-hydroxyphenyl)-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 481.98 |
| Molecular Formula: | C19 H20 Cl N5 O4 S2 |
| Smiles: | Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(Nc1cc(ccc1O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8868 |
| logD: | 1.8852 |
| logSw: | -2.8058 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.616 |
| InChI Key: | MMMRCROBIYKKQT-UHFFFAOYSA-N |