4-{5-[(3-cyanopropyl)sulfanyl]-1H-tetrazol-1-yl}benzamide
Chemical Structure Depiction of
4-{5-[(3-cyanopropyl)sulfanyl]-1H-tetrazol-1-yl}benzamide
4-{5-[(3-cyanopropyl)sulfanyl]-1H-tetrazol-1-yl}benzamide
Compound characteristics
| Compound ID: | 8010-6425 |
| Compound Name: | 4-{5-[(3-cyanopropyl)sulfanyl]-1H-tetrazol-1-yl}benzamide |
| Molecular Weight: | 288.33 |
| Molecular Formula: | C12 H12 N6 O S |
| Smiles: | C(CC#N)CSc1nnnn1c1ccc(cc1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1311 |
| logD: | 0.1311 |
| logSw: | -1.7441 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.711 |
| InChI Key: | CXIPNCLYQLNYSG-UHFFFAOYSA-N |