O-{3-[(3-bromophenyl)carbamoyl]phenyl} (4-acetylphenyl)carbamothioate
Chemical Structure Depiction of
O-{3-[(3-bromophenyl)carbamoyl]phenyl} (4-acetylphenyl)carbamothioate
O-{3-[(3-bromophenyl)carbamoyl]phenyl} (4-acetylphenyl)carbamothioate
Compound characteristics
| Compound ID: | 8001-3267 |
| Compound Name: | O-{3-[(3-bromophenyl)carbamoyl]phenyl} (4-acetylphenyl)carbamothioate |
| Molecular Weight: | 469.36 |
| Molecular Formula: | C22 H17 Br N2 O3 S |
| Smiles: | CC(c1ccc(cc1)NC(Oc1cccc(c1)C(Nc1cccc(c1)[Br])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1481 |
| logD: | 5.1319 |
| logSw: | -5.1175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.196 |
| InChI Key: | YORSSVVHTZFAHO-UHFFFAOYSA-N |