N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
Compound characteristics
| Compound ID: | M056-0056 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C24 H20 F N3 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(Cn1ccc2c(nccc12)SCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7932 |
| logD: | 3.7813 |
| logSw: | -4.0832 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.572 |
| InChI Key: | NYZDVQYADDKIQK-UHFFFAOYSA-N |