N-(2-hydroxy-5-methylphenyl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)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)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2-hydroxy-5-methylphenyl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D580-1051 |
| Compound Name: | N-(2-hydroxy-5-methylphenyl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C21 H25 N5 O4 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC(Nc1cc(C)ccc1O)=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0157 |
| logD: | 2.0155 |
| logSw: | -2.6276 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.616 |
| InChI Key: | APTXNDUNGZSIRP-UHFFFAOYSA-N |