1-(azepan-1-yl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(azepan-1-yl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G731-0626 |
| Compound Name: | 1-(azepan-1-yl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C17 H22 N4 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc([nH]1)SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6019 |
| logD: | 1.4102 |
| logSw: | -2.8345 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.741 |
| InChI Key: | HCQFXZJACCMFLC-UHFFFAOYSA-N |