5-bromo-N-{[2-(4-chloro-2-methylphenoxy)ethyl]carbamothioyl}pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-{[2-(4-chloro-2-methylphenoxy)ethyl]carbamothioyl}pyridine-3-carboxamide
5-bromo-N-{[2-(4-chloro-2-methylphenoxy)ethyl]carbamothioyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0036 |
| Compound Name: | 5-bromo-N-{[2-(4-chloro-2-methylphenoxy)ethyl]carbamothioyl}pyridine-3-carboxamide |
| Molecular Weight: | 428.73 |
| Molecular Formula: | C16 H15 Br Cl N3 O2 S |
| Smiles: | Cc1cc(ccc1OCCNC(NC(c1cc(cnc1)[Br])=O)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6847 |
| logD: | 4.6778 |
| logSw: | -4.7295 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.515 |
| InChI Key: | NYRDSBCEPAYIIU-UHFFFAOYSA-N |