N-(2-hydroxy-5-methylphenyl)-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-hydroxy-5-methylphenyl)-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2-hydroxy-5-methylphenyl)-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D583-1648 |
| Compound Name: | N-(2-hydroxy-5-methylphenyl)-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C20 H23 N5 O4 S2 |
| Smiles: | Cc1ccc(c(c1)NC(CSc1nnc(CN(c2ccccc2)S(C)(=O)=O)n1C)=O)O |
| Stereo: | ACHIRAL |
| logP: | 1.4708 |
| logD: | 1.4705 |
| logSw: | -2.4139 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.616 |
| InChI Key: | GECWMRPDJYOMEU-UHFFFAOYSA-N |