5-bromo-N-{[2-(4-tert-butylphenoxy)ethyl]carbamothioyl}pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-{[2-(4-tert-butylphenoxy)ethyl]carbamothioyl}pyridine-3-carboxamide
5-bromo-N-{[2-(4-tert-butylphenoxy)ethyl]carbamothioyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0033 |
| Compound Name: | 5-bromo-N-{[2-(4-tert-butylphenoxy)ethyl]carbamothioyl}pyridine-3-carboxamide |
| Molecular Weight: | 436.37 |
| Molecular Formula: | C19 H22 Br N3 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCCNC(NC(c1cc(cnc1)[Br])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.0403 |
| logD: | 5.0334 |
| logSw: | -4.397 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.429 |
| InChI Key: | GKEFOMLLAPMGPJ-UHFFFAOYSA-N |