ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate
ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 4194-0083 |
| Compound Name: | ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioyl]piperazine-1-carboxylate |
| Molecular Weight: | 401.28 |
| Molecular Formula: | C14 H17 Br N4 O3 S |
| Smiles: | CCOC(N1CCN(CC1)C(NC(c1cc(cnc1)[Br])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0427 |
| logD: | 2.0384 |
| logSw: | -2.7315 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.703 |
| InChI Key: | HQWLQMUECXIKCW-UHFFFAOYSA-N |