2-[(1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
2-[(1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | M046-0839 |
| Compound Name: | 2-[(1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C25 H25 N3 O3 S |
| Smiles: | COc1ccc(CNC(CSc2c3ccn(Cc4ccccc4)c3ccn2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.6143 |
| logD: | 3.596 |
| logSw: | -3.8702 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.718 |
| InChI Key: | VSELSEPHZDFQMU-UHFFFAOYSA-N |