ethyl 4-{[(5-bromopyridine-3-carbonyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(5-bromopyridine-3-carbonyl)carbamothioyl]amino}benzoate
ethyl 4-{[(5-bromopyridine-3-carbonyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 4194-0071 |
| Compound Name: | ethyl 4-{[(5-bromopyridine-3-carbonyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 408.27 |
| Molecular Formula: | C16 H14 Br N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NC(c1cc(cnc1)[Br])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9198 |
| logD: | 3.9092 |
| logSw: | -3.8587 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.601 |
| InChI Key: | XWHQTQYOMADXSL-UHFFFAOYSA-N |