4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | C797-1084 |
| Compound Name: | 4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide |
| Molecular Weight: | 513.66 |
| Molecular Formula: | C29 H31 N5 O2 S |
| Smiles: | Cc1cccc(CSc2nc3ccncc3n2Cc2ccc(cc2)C(NCCCN2CCCC2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8086 |
| logD: | 3.8055 |
| logSw: | -3.6571 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.762 |
| InChI Key: | LWJGVEMKABRNGS-UHFFFAOYSA-N |