2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0368 |
| Compound Name: | 2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 509.58 |
| Molecular Formula: | C26 H27 N3 O6 S |
| Smiles: | CC(C)NC(c1ccc2C(N(CC3CCCO3)C(=Nc2c1)SCC(c1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.865 |
| logD: | 2.865 |
| logSw: | -3.6437 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.447 |
| InChI Key: | PKVFHSXDODJGCC-GOSISDBHSA-N |