4-methyl-N-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}benzamide
Chemical Structure Depiction of
4-methyl-N-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}benzamide
4-methyl-N-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}benzamide
Compound characteristics
| Compound ID: | 8017-0586 |
| Compound Name: | 4-methyl-N-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}benzamide |
| Molecular Weight: | 290.34 |
| Molecular Formula: | C13 H14 N4 O2 S |
| Smiles: | Cc1ccc(cc1)C(NC(CSc1nncn1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8798 |
| logD: | 0.8252 |
| logSw: | -2.2204 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.061 |
| InChI Key: | AWBCPKPPNTVUCC-UHFFFAOYSA-N |