4-{[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
4-{[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4736 |
| Compound Name: | 4-{[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 578.73 |
| Molecular Formula: | C31 H38 N4 O5 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCC1CCCO1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1654 |
| logD: | 4.1654 |
| logSw: | -4.1872 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.304 |
| InChI Key: | QFRGBEVKEYOEEG-XUNZJTMSSA-N |