O-{4-[(3-methylphenyl)carbamoyl]phenyl} (4-bromophenyl)carbamothioate
Chemical Structure Depiction of
O-{4-[(3-methylphenyl)carbamoyl]phenyl} (4-bromophenyl)carbamothioate
O-{4-[(3-methylphenyl)carbamoyl]phenyl} (4-bromophenyl)carbamothioate
Compound characteristics
| Compound ID: | 8005-4551 |
| Compound Name: | O-{4-[(3-methylphenyl)carbamoyl]phenyl} (4-bromophenyl)carbamothioate |
| Molecular Weight: | 441.34 |
| Molecular Formula: | C21 H17 Br N2 O2 S |
| Smiles: | Cc1cccc(c1)NC(c1ccc(cc1)OC(Nc1ccc(cc1)[Br])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9972 |
| logD: | 5.9911 |
| logSw: | -5.5483 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.369 |
| InChI Key: | VNYSZALWRJGRLS-UHFFFAOYSA-N |