2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | D580-0330 |
| Compound Name: | 2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C21 H25 N5 O4 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC(Nc1cccc(c1)OC)=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4415 |
| logD: | 2.4415 |
| logSw: | -2.936 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.31 |
| InChI Key: | XGTSQDKSRTYEDI-UHFFFAOYSA-N |