N-(propan-2-yl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Chemical Structure Depiction of
N-(propan-2-yl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
N-(propan-2-yl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Compound characteristics
| Compound ID: | D513-0271 |
| Compound Name: | N-(propan-2-yl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C14 H17 N5 O2 S |
| Smiles: | CC(C)NC(c1ccc(cc1)NC(CSc1nnc[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3901 |
| logD: | 0.0356 |
| logSw: | -2.1843 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.201 |
| InChI Key: | NVCNLPOYHNLMOO-UHFFFAOYSA-N |