ethyl 8-[({7-(4-carbamoylpiperidine-1-carbonyl)-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate
Chemical Structure Depiction of
ethyl 8-[({7-(4-carbamoylpiperidine-1-carbonyl)-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate
ethyl 8-[({7-(4-carbamoylpiperidine-1-carbonyl)-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate
Compound characteristics
| Compound ID: | K284-4531 |
| Compound Name: | ethyl 8-[({7-(4-carbamoylpiperidine-1-carbonyl)-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate |
| Molecular Weight: | 632.69 |
| Molecular Formula: | C32 H32 N4 O8 S |
| Smiles: | CCOC(c1cc2COCOc2c(CSC2=Nc3cc(ccc3C(N2Cc2ccco2)=O)C(N2CCC(CC2)C(N)=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0151 |
| logD: | 3.0151 |
| logSw: | -3.3094 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.87 |
| InChI Key: | QCTOJVRKTBAKEH-UHFFFAOYSA-N |