O-{4-[(4-chlorophenyl)carbamoyl]phenyl} octylcarbamothioate
Chemical Structure Depiction of
O-{4-[(4-chlorophenyl)carbamoyl]phenyl} octylcarbamothioate
O-{4-[(4-chlorophenyl)carbamoyl]phenyl} octylcarbamothioate
Compound characteristics
| Compound ID: | 8001-5488 |
| Compound Name: | O-{4-[(4-chlorophenyl)carbamoyl]phenyl} octylcarbamothioate |
| Molecular Weight: | 418.98 |
| Molecular Formula: | C22 H27 Cl N2 O2 S |
| Smiles: | CCCCCCCCNC(Oc1ccc(cc1)C(Nc1ccc(cc1)[Cl])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.9504 |
| logD: | 6.9483 |
| logSw: | -6.4353 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.805 |
| InChI Key: | HTFSTLNNVNHUMP-UHFFFAOYSA-N |