2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D580-1005 |
| Compound Name: | 2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C17 H20 N6 O3 S3 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC(Nc1nccs1)=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.541 |
| logD: | 1.5405 |
| logSw: | -2.4934 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.244 |
| InChI Key: | KPRSFNNNKSZRTA-UHFFFAOYSA-N |