2-{[2-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0374 |
| Compound Name: | 2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 509.62 |
| Molecular Formula: | C27 H31 N3 O5 S |
| Smiles: | CCOc1ccc(cc1)C(CSC1=Nc2cc(ccc2C(N1CC1CCCO1)=O)C(NC(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0764 |
| logD: | 3.0764 |
| logSw: | -3.6413 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.455 |
| InChI Key: | NELMFSRRCMNJKA-OAQYLSRUSA-N |