3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyethyl)-4-oxo-2-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyethyl)-4-oxo-2-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyethyl)-4-oxo-2-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3799 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyethyl)-4-oxo-2-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 554.62 |
| Molecular Formula: | C27 H30 N4 O7 S |
| Smiles: | COCCNC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c1)SCC(NCC1CCCO1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4843 |
| logD: | 1.4843 |
| logSw: | -2.7087 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.881 |
| InChI Key: | YFYPOKDGLRWZBF-LJQANCHMSA-N |