ethyl 8-[({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate
Chemical Structure Depiction of
ethyl 8-[({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate
ethyl 8-[({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate
Compound characteristics
| Compound ID: | K284-0636 |
| Compound Name: | ethyl 8-[({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-2H,4H-1,3-benzodioxine-6-carboxylate |
| Molecular Weight: | 532.57 |
| Molecular Formula: | C28 H24 N2 O7 S |
| Smiles: | CCOC(c1cc2COCOc2c(CSC2=Nc3ccccc3C(N2Cc2ccc3c(c2)OCO3)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1042 |
| logD: | 5.1042 |
| logSw: | -4.8846 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.529 |
| InChI Key: | BNVUPHZBBJMWJT-UHFFFAOYSA-N |