4-(4-fluoroanilino)-N-{[4-(methylsulfanyl)phenyl]methyl}quinazoline-2-carboxamide
Chemical Structure Depiction of
4-(4-fluoroanilino)-N-{[4-(methylsulfanyl)phenyl]methyl}quinazoline-2-carboxamide
4-(4-fluoroanilino)-N-{[4-(methylsulfanyl)phenyl]methyl}quinazoline-2-carboxamide
Compound characteristics
| Compound ID: | G582-3129 |
| Compound Name: | 4-(4-fluoroanilino)-N-{[4-(methylsulfanyl)phenyl]methyl}quinazoline-2-carboxamide |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C23 H19 F N4 O S |
| Smiles: | CSc1ccc(CNC(c2nc(c3ccccc3n2)Nc2ccc(cc2)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3899 |
| logD: | 5.3899 |
| logSw: | -5.6692 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.49 |
| InChI Key: | XKXVYJMIQAVODZ-UHFFFAOYSA-N |