N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]propanamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | D365-0098 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]propanamide |
| Molecular Weight: | 431.86 |
| Molecular Formula: | C18 H17 Cl F3 N3 O2 S |
| Smiles: | CC(C(Nc1cc(ccc1[Cl])C(F)(F)F)=O)SC1NC(C2CCCCC=2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2344 |
| logD: | 4.1448 |
| logSw: | -4.5276 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.137 |
| InChI Key: | BUOBCPOGQNZAKC-VIFPVBQESA-N |