N-cyclopentyl-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Chemical Structure Depiction of
N-cyclopentyl-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
N-cyclopentyl-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Compound characteristics
| Compound ID: | D513-0347 |
| Compound Name: | N-cyclopentyl-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C16 H19 N5 O2 S |
| Smiles: | C1CCC(C1)NC(c1ccc(cc1)NC(CSc1nnc[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1134 |
| logD: | 0.7589 |
| logSw: | -2.1358 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.046 |
| InChI Key: | RBRMGAPXSBAPJU-UHFFFAOYSA-N |