1-(azepan-1-yl)-2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(azepan-1-yl)-2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | D489-0575 |
| Compound Name: | 1-(azepan-1-yl)-2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 420.58 |
| Molecular Formula: | C24 H28 N4 O S |
| Smiles: | Cc1ccc(cc1C)c1nnc(n1c1ccccc1)SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4089 |
| logD: | 5.4089 |
| logSw: | -5.2218 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.436 |
| InChI Key: | FFYKJKKTQDVDNS-UHFFFAOYSA-N |