3-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061514 |
| Compound Name: | 3-(2,4-dimethoxyphenyl)-N-(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)OC)N1C(c2ccc(cc2NC1=S)C(Nc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9329 |
| logD: | 3.9182 |
| logSw: | -4.1704 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.671 |
| InChI Key: | JSMSDIRPHCQOFR-UHFFFAOYSA-N |