1-(3-cyclohexyl-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(3-cyclohexyl-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
1-(3-cyclohexyl-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K289-0558 |
| Compound Name: | 1-(3-cyclohexyl-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide |
| Molecular Weight: | 587.74 |
| Molecular Formula: | C32 H37 N5 O4 S |
| Smiles: | C1CCC(CC1)N1C(=Nc2cc(ccc2C1=O)C(N1CCC(CC1)C(N)=O)=O)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1981 |
| logD: | 3.1981 |
| logSw: | -3.4943 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.757 |
| InChI Key: | GLKNKCSPHXTECE-UHFFFAOYSA-N |