methyl 2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2076 |
| Compound Name: | methyl 2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 513.57 |
| Molecular Formula: | C25 H27 N3 O7 S |
| Smiles: | COC(c1ccc2C(N(CC3CCCO3)C(=Nc2c1)SCC(Nc1ccc(cc1OC)OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.645 |
| logD: | 2.6449 |
| logSw: | -3.2815 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.225 |
| InChI Key: | OKROVFJXRLOXJY-QGZVFWFLSA-N |