3-{[7-(4-carbamoylpiperidine-1-carbonyl)-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl]sulfanyl}propanoic acid
Chemical Structure Depiction of
3-{[7-(4-carbamoylpiperidine-1-carbonyl)-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl]sulfanyl}propanoic acid
3-{[7-(4-carbamoylpiperidine-1-carbonyl)-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | K289-0278 |
| Compound Name: | 3-{[7-(4-carbamoylpiperidine-1-carbonyl)-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl]sulfanyl}propanoic acid |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C24 H24 N4 O5 S |
| Smiles: | C1CN(CCC1C(N)=O)C(c1ccc2C(N(C(=Nc2c1)SCCC(O)=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.419 |
| logD: | -2.2767 |
| logSw: | -2.3117 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.522 |
| InChI Key: | JIMAFUQSNKRRGQ-UHFFFAOYSA-N |