3-(3-chloro-4-fluorophenyl)-N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(3-chloro-4-fluorophenyl)-N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061654 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 459.97 |
| Molecular Formula: | C23 H23 Cl F N3 O2 S |
| Smiles: | CC1CCCC(C1C)NC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5046 |
| logD: | 4.3981 |
| logSw: | -4.6162 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.235 |
| InChI Key: | HTACNFHQRMFJND-UHFFFAOYSA-N |