2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D583-1600 |
| Compound Name: | 2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C17 H20 N6 O3 S3 |
| Smiles: | Cc1csc(NC(CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3892 |
| logD: | 1.3831 |
| logSw: | -2.3864 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.618 |
| InChI Key: | HVENJBBVCAQQIG-UHFFFAOYSA-N |