N-(2-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(2-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(2-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061425 |
| Compound Name: | N-(2-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C18 H14 F N3 O2 S |
| Smiles: | C=CCN1C(c2ccc(cc2NC1=S)C(Nc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2722 |
| logD: | 3.2645 |
| logSw: | -3.67 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.961 |
| InChI Key: | WQSJZZSPPXUHKA-UHFFFAOYSA-N |