1-(azepan-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(azepan-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | G731-0054 |
| Compound Name: | 1-(azepan-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 316.42 |
| Molecular Formula: | C16 H20 N4 O S |
| Smiles: | C1CCCN(CC1)C(CSc1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5145 |
| logD: | 1.3227 |
| logSw: | -2.6712 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.197 |
| InChI Key: | JZNCLCAJIRTJDY-UHFFFAOYSA-N |