2-{[(3-bromophenyl)methyl]sulfanyl}-N-(2,2-diethoxyethyl)pyridine-3-carboxamide
Chemical Structure Depiction of
2-{[(3-bromophenyl)methyl]sulfanyl}-N-(2,2-diethoxyethyl)pyridine-3-carboxamide
2-{[(3-bromophenyl)methyl]sulfanyl}-N-(2,2-diethoxyethyl)pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K781-5358 |
| Compound Name: | 2-{[(3-bromophenyl)methyl]sulfanyl}-N-(2,2-diethoxyethyl)pyridine-3-carboxamide |
| Molecular Weight: | 439.37 |
| Molecular Formula: | C19 H23 Br N2 O3 S |
| Smiles: | CCOC(CNC(c1cccnc1SCc1cccc(c1)[Br])=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.6452 |
| logD: | 3.6452 |
| logSw: | -3.8589 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.485 |
| InChI Key: | IGLYCQVAHJOBQO-UHFFFAOYSA-N |