ethyl 4-{[7-(4-carbamoylpiperidine-1-carbonyl)-3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{[7-(4-carbamoylpiperidine-1-carbonyl)-3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-3-oxobutanoate
ethyl 4-{[7-(4-carbamoylpiperidine-1-carbonyl)-3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
Compound ID: | K289-0508 |
Compound Name: | ethyl 4-{[7-(4-carbamoylpiperidine-1-carbonyl)-3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-3-oxobutanoate |
Molecular Weight: | 554.6 |
Molecular Formula: | C27 H27 F N4 O6 S |
Smiles: | CCOC(CC(CSC1=Nc2cc(ccc2C(N1c1ccc(cc1)F)=O)C(N1CCC(CC1)C(N)=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 0.9303 |
logD: | 0.9303 |
logSw: | -2.4607 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 109.052 |
InChI Key: | UEOJWJHJWFIOIP-UHFFFAOYSA-N |