2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
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)propanamide
2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | D580-1065 |
| 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)propanamide |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C18 H22 N6 O3 S3 |
| Smiles: | CC(C(Nc1nccs1)=O)Sc1nnc(CN(c2ccc(C)cc2)S(C)(=O)=O)n1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1514 |
| logD: | 2.1505 |
| logSw: | -2.8179 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.458 |
| InChI Key: | CFHCCALKXWSHIQ-ZDUSSCGKSA-N |