1-(azepan-1-yl)-2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(azepan-1-yl)-2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G731-0197 |
| Compound Name: | 1-(azepan-1-yl)-2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 350.87 |
| Molecular Formula: | C16 H19 Cl N4 O S |
| Smiles: | C1CCCN(CC1)C(CSc1nnc(c2ccccc2[Cl])[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8881 |
| logD: | 1.6964 |
| logSw: | -3.7712 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.197 |
| InChI Key: | PJGRUBJXYIQOGR-UHFFFAOYSA-N |