1-[3-(4-fluorophenyl)-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-[3-(4-fluorophenyl)-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide
1-[3-(4-fluorophenyl)-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K289-0469 |
| Compound Name: | 1-[3-(4-fluorophenyl)-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide |
| Molecular Weight: | 537.61 |
| Molecular Formula: | C27 H28 F N5 O4 S |
| Smiles: | C1CCN(C1)C(CSC1=Nc2cc(ccc2C(N1c1ccc(cc1)F)=O)C(N1CCC(CC1)C(N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1759 |
| logD: | 1.1741 |
| logSw: | -2.4025 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.625 |
| InChI Key: | XAXWKJOHCJABAD-UHFFFAOYSA-N |