5-bromo-N-{[2-(3-methylphenoxy)ethyl]carbamothioyl}pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-{[2-(3-methylphenoxy)ethyl]carbamothioyl}pyridine-3-carboxamide
5-bromo-N-{[2-(3-methylphenoxy)ethyl]carbamothioyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0091 |
| Compound Name: | 5-bromo-N-{[2-(3-methylphenoxy)ethyl]carbamothioyl}pyridine-3-carboxamide |
| Molecular Weight: | 394.29 |
| Molecular Formula: | C16 H16 Br N3 O2 S |
| Smiles: | Cc1cccc(c1)OCCNC(NC(c1cc(cnc1)[Br])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.7371 |
| logD: | 3.7302 |
| logSw: | -3.7412 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.429 |
| InChI Key: | ORLTVFDSQKMYPZ-UHFFFAOYSA-N |