3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-N-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-N-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-N-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061956 |
| Compound Name: | 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-N-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 503.93 |
| Molecular Formula: | C24 H17 Cl F3 N3 O2 S |
| Smiles: | C(CNC(c1ccc2C(N(C(Nc2c1)=S)c1cc(ccc1[Cl])C(F)(F)F)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7975 |
| logD: | 4.777 |
| logSw: | -5.0311 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.66 |
| InChI Key: | VRQCUWCJTUVHAQ-UHFFFAOYSA-N |