N-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061090 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-3-[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)NC(c1ccc2C(N(C(Nc2c1)=S)c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2103 |
| logD: | 4.1989 |
| logSw: | -4.4965 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.059 |
| InChI Key: | UUKFXEQPJPBHNI-UHFFFAOYSA-N |