1-(azepan-1-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(azepan-1-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | D419-0090 |
| Compound Name: | 1-(azepan-1-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4071 |
| logD: | 4.4071 |
| logSw: | -4.1987 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.98 |
| InChI Key: | DGBDRARGLYXXTJ-UHFFFAOYSA-N |