N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061830 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C24 H24 F3 N3 O2 S |
| Smiles: | CC1CCCC(C1C)NC(c1ccc2C(N(C(Nc2c1)=S)c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7664 |
| logD: | 4.7637 |
| logSw: | -4.5555 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.235 |
| InChI Key: | OTAFRWSXICJFIF-UHFFFAOYSA-N |