4-({2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
4-({2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4742 |
| Compound Name: | 4-({2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 622.78 |
| Molecular Formula: | C33 H42 N4 O6 S |
| Smiles: | COc1ccc(CCNC(CSC2=Nc3ccccc3C(N2CC2CCC(CC2)C(NCC2CCCO2)=O)=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7695 |
| logD: | 2.7695 |
| logSw: | -3.5208 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.605 |
| InChI Key: | QGFBMJAKRZZHBS-DDJHWDJXSA-N |