3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3,5-dimethylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3,5-dimethylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3,5-dimethylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061158 |
| Compound Name: | 3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3,5-dimethylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 503.93 |
| Molecular Formula: | C24 H17 Cl F3 N3 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(c1ccc2C(N(C(Nc2c1)=S)c1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.891 |
| logD: | 5.8083 |
| logSw: | -6.0518 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.497 |
| InChI Key: | XYNCMUGNGYFNJA-UHFFFAOYSA-N |