5-bromo-N-{[2-(phenylsulfanyl)ethyl]carbamothioyl}pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-{[2-(phenylsulfanyl)ethyl]carbamothioyl}pyridine-3-carboxamide
5-bromo-N-{[2-(phenylsulfanyl)ethyl]carbamothioyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0087 |
| Compound Name: | 5-bromo-N-{[2-(phenylsulfanyl)ethyl]carbamothioyl}pyridine-3-carboxamide |
| Molecular Weight: | 396.33 |
| Molecular Formula: | C15 H14 Br N3 O S2 |
| Smiles: | C(CSc1ccccc1)NC(NC(c1cc(cnc1)[Br])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.163 |
| logD: | 3.1561 |
| logSw: | -3.3026 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.011 |
| InChI Key: | BHXIWFXTPCLQAH-UHFFFAOYSA-N |