N-[(oxolan-2-yl)methyl]-4-{[4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(oxolan-2-yl)methyl]-4-{[4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-[(oxolan-2-yl)methyl]-4-{[4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4739 |
| Compound Name: | N-[(oxolan-2-yl)methyl]-4-{[4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 562.73 |
| Molecular Formula: | C31 H38 N4 O4 S |
| Smiles: | C1CC(CNC(C2CCC(CC2)CN2C(=Nc3ccccc3C2=O)SCC(NCCc2ccccc2)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2524 |
| logD: | 3.2524 |
| logSw: | -3.6954 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.344 |
| InChI Key: | LAWYWQKQJKVMIZ-DDJHWDJXSA-N |