N-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061842 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 493.87 |
| Molecular Formula: | C22 H12 Cl F4 N3 O2 S |
| Smiles: | c1cc(cc(c1)N1C(c2ccc(cc2NC1=S)C(Nc1ccc(c(c1)[Cl])F)=O)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.4055 |
| logD: | 5.0807 |
| logSw: | -6.068 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.798 |
| InChI Key: | UUPPRDUIKATBOK-UHFFFAOYSA-N |