N-[(furan-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-[(furan-2-yl)methyl]-4-{[4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-[(furan-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: | K284-4775 |
Compound Name: | N-[(furan-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: | 558.7 |
Molecular Formula: | C31 H34 N4 O4 S |
Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC(NCCc1ccccc1)=O)C(NCc1ccco1)=O |
Stereo: | ACHIRAL |
logP: | 4.1273 |
logD: | 4.1273 |
logSw: | -4.4441 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 82.438 |
InChI Key: | PILFBZDWEQYTBY-UHFFFAOYSA-N |