O-{3-[(3-bromophenyl)carbamoyl]phenyl} (4-methoxyphenyl)carbamothioate
Chemical Structure Depiction of
O-{3-[(3-bromophenyl)carbamoyl]phenyl} (4-methoxyphenyl)carbamothioate
O-{3-[(3-bromophenyl)carbamoyl]phenyl} (4-methoxyphenyl)carbamothioate
Compound characteristics
| Compound ID: | 8003-2228 |
| Compound Name: | O-{3-[(3-bromophenyl)carbamoyl]phenyl} (4-methoxyphenyl)carbamothioate |
| Molecular Weight: | 457.34 |
| Molecular Formula: | C21 H17 Br N2 O3 S |
| Smiles: | COc1ccc(cc1)NC(Oc1cccc(c1)C(Nc1cccc(c1)[Br])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.5884 |
| logD: | 5.5795 |
| logSw: | -5.5645 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.913 |
| InChI Key: | SKXKSUABEUIVPE-UHFFFAOYSA-N |