N-[(oxolan-2-yl)methyl]-4-{[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)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-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-[(oxolan-2-yl)methyl]-4-{[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4759 |
| Compound Name: | N-[(oxolan-2-yl)methyl]-4-{[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 603.78 |
| Molecular Formula: | C33 H41 N5 O4 S |
| Smiles: | C1CC(CNC(C2CCC(CC2)CN2C(=Nc3ccccc3C2=O)SCC(N2CCN(CC2)c2ccccc2)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6945 |
| logD: | 3.6945 |
| logSw: | -4.0136 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.684 |
| InChI Key: | MLGUVMCJHXXTTJ-JYPDZDFGSA-N |