2-{[7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-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-phenylpiperazin-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-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F595-0330 |
| Compound Name: | 2-{[7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C23 H26 N6 O2 S |
| Smiles: | COc1ccc(cc1)N1CCn2c1nnc2SCC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2185 |
| logD: | 3.1867 |
| logSw: | -3.3316 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.919 |
| InChI Key: | WRMLYVKSLGNGQP-UHFFFAOYSA-N |