2-[4-(benzylsulfanyl)-1H-pyrrolo[3,2-c]pyridin-1-yl]-N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[4-(benzylsulfanyl)-1H-pyrrolo[3,2-c]pyridin-1-yl]-N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}acetamide
2-[4-(benzylsulfanyl)-1H-pyrrolo[3,2-c]pyridin-1-yl]-N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | M056-0617 |
| Compound Name: | 2-[4-(benzylsulfanyl)-1H-pyrrolo[3,2-c]pyridin-1-yl]-N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}acetamide |
| Molecular Weight: | 485.65 |
| Molecular Formula: | C28 H31 N5 O S |
| Smiles: | CN1CCN(CC1)c1ccc(CNC(Cn2ccc3c(nccc23)SCc2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5468 |
| logD: | 2.9787 |
| logSw: | -3.7268 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.386 |
| InChI Key: | LVSIXQUZPQMJAZ-UHFFFAOYSA-N |