2-{[7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F595-0329 |
| Compound Name: | 2-{[7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C19 H25 N5 O2 S |
| Smiles: | CC1CCN(CC1)C(CSc1nnc2N(CCn12)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9136 |
| logD: | 2.8818 |
| logSw: | -3.2396 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.659 |
| InChI Key: | BEGFUIDKWHQIOX-UHFFFAOYSA-N |