2-(4-{[(4-methylphenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-(4-{[(4-methylphenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}acetamide
2-(4-{[(4-methylphenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | M056-0400 |
| Compound Name: | 2-(4-{[(4-methylphenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}acetamide |
| Molecular Weight: | 499.68 |
| Molecular Formula: | C29 H33 N5 O S |
| Smiles: | Cc1ccc(CSc2c3ccn(CC(NCc4ccc(cc4)N4CCN(C)CC4)=O)c3ccn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9701 |
| logD: | 3.4021 |
| logSw: | -3.8163 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.386 |
| InChI Key: | UFTGMCFYPPGHHW-UHFFFAOYSA-N |