ethyl 8-{[(3-[(furan-2-yl)methyl]-4-oxo-7-{[(oxolan-2-yl)methyl]carbamoyl}-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]-4-oxo-7-{[(oxolan-2-yl)methyl]carbamoyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
ethyl 8-{[(3-[(furan-2-yl)methyl]-4-oxo-7-{[(oxolan-2-yl)methyl]carbamoyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
Compound characteristics
| Compound ID: | K284-4469 |
| Compound Name: | ethyl 8-{[(3-[(furan-2-yl)methyl]-4-oxo-7-{[(oxolan-2-yl)methyl]carbamoyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate |
| Molecular Weight: | 605.67 |
| Molecular Formula: | C31 H31 N3 O8 S |
| Smiles: | CCOC(c1cc2COCOc2c(CSC2=Nc3cc(ccc3C(N2Cc2ccco2)=O)C(NCC2CCCO2)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8549 |
| logD: | 3.8549 |
| logSw: | -3.9175 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.23 |
| InChI Key: | KWGZEEYHMRJDKI-HSZRJFAPSA-N |