2-{[(3-bromophenyl)methyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
Chemical Structure Depiction of
2-{[(3-bromophenyl)methyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
2-{[(3-bromophenyl)methyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K845-0432 |
| Compound Name: | 2-{[(3-bromophenyl)methyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide |
| Molecular Weight: | 487.41 |
| Molecular Formula: | C23 H23 Br N2 O3 S |
| Smiles: | COc1ccc(CCNC(c2cccnc2SCc2cccc(c2)[Br])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.2283 |
| logD: | 4.2283 |
| logSw: | -4.357 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.662 |
| InChI Key: | VAKIQWHOGFAAEP-UHFFFAOYSA-N |