1-(azepan-1-yl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(azepan-1-yl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G731-0290 |
| Compound Name: | 1-(azepan-1-yl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 334.41 |
| Molecular Formula: | C16 H19 F N4 O S |
| Smiles: | C1CCCN(CC1)C(CSc1nnc(c2ccc(cc2)F)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6486 |
| logD: | 1.4569 |
| logSw: | -2.9058 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.197 |
| InChI Key: | FKXLVAUEFVFAPG-UHFFFAOYSA-N |