2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K289-0566 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 595.09 |
| Molecular Formula: | C30 H28 Cl F N4 O4 S |
| Smiles: | C(CNC(c1ccc2C(N(C(=Nc2c1)SCC(c1ccc(cc1)[Cl])=O)c1ccc(cc1)F)=O)=O)CN1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.3387 |
| logD: | 2.9505 |
| logSw: | -3.9816 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.552 |
| InChI Key: | DWWLVIKURROSHB-UHFFFAOYSA-N |