ethyl 8-{[(3-[(furan-2-yl)methyl]-7-{[(furan-2-yl)methyl]carbamoyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
Chemical Structure Depiction of
ethyl 8-{[(3-[(furan-2-yl)methyl]-7-{[(furan-2-yl)methyl]carbamoyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
ethyl 8-{[(3-[(furan-2-yl)methyl]-7-{[(furan-2-yl)methyl]carbamoyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
Compound characteristics
| Compound ID: | K284-4283 |
| Compound Name: | ethyl 8-{[(3-[(furan-2-yl)methyl]-7-{[(furan-2-yl)methyl]carbamoyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate |
| Molecular Weight: | 601.64 |
| Molecular Formula: | C31 H27 N3 O8 S |
| Smiles: | CCOC(c1cc2COCOc2c(CSC2=Nc3cc(ccc3C(N2Cc2ccco2)=O)C(NCc2ccco2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.055 |
| logD: | 5.0549 |
| logSw: | -4.665 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.325 |
| InChI Key: | TYQRNEXYGHTFIO-UHFFFAOYSA-N |