N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D365-0033 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 417.84 |
| Molecular Formula: | C17 H15 Cl F3 N3 O2 S |
| Smiles: | C1CCC2=C(C1)C(NC(=N2)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3826 |
| logD: | 3.1673 |
| logSw: | -3.9188 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.923 |
| InChI Key: | JRMHOEFQTWPBQJ-UHFFFAOYSA-N |