2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1424 |
| Compound Name: | 2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 547.65 |
| Molecular Formula: | C30 H30 F N3 O4 S |
| Smiles: | CCOc1ccc(cc1)C(CSC1=Nc2cc(ccc2C(N1c1ccc(cc1)F)=O)C(NCCC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9439 |
| logD: | 4.9438 |
| logSw: | -4.5612 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.056 |
| InChI Key: | IPKMUVUYJBKADL-UHFFFAOYSA-N |