N-cyclopropyl-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Chemical Structure Depiction of
N-cyclopropyl-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
N-cyclopropyl-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Compound characteristics
| Compound ID: | D513-0346 |
| Compound Name: | N-cyclopropyl-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide |
| Molecular Weight: | 317.37 |
| Molecular Formula: | C14 H15 N5 O2 S |
| Smiles: | C1CC1NC(c1ccc(cc1)NC(CSc1nnc[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1818 |
| logD: | -0.1728 |
| logSw: | -2.1558 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.011 |
| InChI Key: | BNXYLUZBJZYNDM-UHFFFAOYSA-N |