3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061894 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 501.48 |
| Molecular Formula: | C24 H18 F3 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)N1C(c2ccc(cc2NC1=S)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5196 |
| logD: | 4.4906 |
| logSw: | -4.4665 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.059 |
| InChI Key: | ANCRLIJAAUGYCX-UHFFFAOYSA-N |