N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(1H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]methyl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(1H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]methyl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(1H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]methyl}benzamide
Compound characteristics
| Compound ID: | C781-0066 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(1H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]methyl}benzamide |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C22 H18 N4 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CSc2nc3cnccc3[nH]2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6442 |
| logD: | 2.6063 |
| logSw: | -2.859 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.027 |
| InChI Key: | CVSNHNFRNCMHSG-UHFFFAOYSA-N |