N-[2-(azepan-1-yl)ethyl]-2-(4-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-(4-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
N-[2-(azepan-1-yl)ethyl]-2-(4-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
Compound characteristics
| Compound ID: | M056-0815 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-(4-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide |
| Molecular Weight: | 452.62 |
| Molecular Formula: | C25 H32 N4 O2 S |
| Smiles: | COc1ccc(CSc2c3ccn(CC(NCCN4CCCCCC4)=O)c3ccn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3498 |
| logD: | 1.8642 |
| logSw: | -3.5121 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.156 |
| InChI Key: | LPZJAJRYAOKIKT-UHFFFAOYSA-N |