2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(propan-2-yl)phenyl]acetamide
2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | D580-1691 |
| Compound Name: | 2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C23 H29 N5 O3 S2 |
| Smiles: | CC(C)c1ccccc1NC(CSc1nnc(CN(c2ccc(C)cc2)S(C)(=O)=O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9828 |
| logD: | 2.9828 |
| logSw: | -3.3522 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.068 |
| InChI Key: | AEZQOJDOGHTRHP-UHFFFAOYSA-N |