2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
Chemical Structure Depiction of
2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
Compound characteristics
| Compound ID: | D580-0359 |
| Compound Name: | 2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C21 H25 N5 O3 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC(N(C)c1ccccc1)=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8167 |
| logD: | 1.8167 |
| logSw: | -2.3286 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.73 |
| InChI Key: | AZBZQZHERNQLEN-UHFFFAOYSA-N |