5-bromo-N-{[(4-tert-butylphenoxy)methyl]carbamothioyl}pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-{[(4-tert-butylphenoxy)methyl]carbamothioyl}pyridine-3-carboxamide
5-bromo-N-{[(4-tert-butylphenoxy)methyl]carbamothioyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0046 |
| Compound Name: | 5-bromo-N-{[(4-tert-butylphenoxy)methyl]carbamothioyl}pyridine-3-carboxamide |
| Molecular Weight: | 422.34 |
| Molecular Formula: | C18 H20 Br N3 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCNC(NC(c1cc(cnc1)[Br])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.7508 |
| logD: | 4.7371 |
| logSw: | -4.2729 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.056 |
| InChI Key: | UBKAFTFWGBKMRC-UHFFFAOYSA-N |