1-(4-benzylpiperidin-1-yl)-2-{[7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-benzylpiperidin-1-yl)-2-{[7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}ethan-1-one
1-(4-benzylpiperidin-1-yl)-2-{[7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | F595-0331 |
| Compound Name: | 1-(4-benzylpiperidin-1-yl)-2-{[7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C25 H29 N5 O2 S |
| Smiles: | COc1ccc(cc1)N1CCn2c1nnc2SCC(N1CCC(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5541 |
| logD: | 4.5223 |
| logSw: | -4.4036 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.387 |
| InChI Key: | ALYKRVQGMDQHEZ-UHFFFAOYSA-N |