N-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061802 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C23 H18 F N3 O4 S |
| Smiles: | COc1ccc(c(c1)NC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)F)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7295 |
| logD: | 3.6729 |
| logSw: | -4.1677 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.274 |
| InChI Key: | HQLLPDRYZIPEOI-UHFFFAOYSA-N |