N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[(1H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]methyl}benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[(1H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]methyl}benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[(1H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]methyl}benzamide
Compound characteristics
| Compound ID: | C781-0050 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[(1H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]methyl}benzamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | COc1ccc(CCNC(c2ccc(CSc3nc4cnccc4[nH]3)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1817 |
| logD: | 2.1438 |
| logSw: | -2.4689 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.013 |
| InChI Key: | JVZIZWPAHCWQSW-UHFFFAOYSA-N |