ethyl 8-[({3-[(furan-2-yl)methyl]-7-[(2-methoxyethyl)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-[(2-methoxyethyl)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-[(2-methoxyethyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate
Compound characteristics
| Compound ID: | K284-3825 |
| Compound Name: | ethyl 8-[({3-[(furan-2-yl)methyl]-7-[(2-methoxyethyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate |
| Molecular Weight: | 579.63 |
| Molecular Formula: | C29 H29 N3 O8 S |
| Smiles: | CCOC(c1cc2COCOc2c(CSC2=Nc3cc(ccc3C(N2Cc2ccco2)=O)C(NCCOC)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7972 |
| logD: | 3.7972 |
| logSw: | -3.9468 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.031 |
| InChI Key: | LNDDIQKJCXCWGB-UHFFFAOYSA-N |