2-(4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
2-(4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | M056-0118 |
| Compound Name: | 2-(4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C27 H27 F N4 O2 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(Cn1ccc2c(nccc12)SCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.979 |
| logD: | 3.9671 |
| logSw: | -3.9939 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.182 |
| InChI Key: | PPKOYHNOXNFERM-UHFFFAOYSA-N |