N-benzyl-4-{[2-{[(2-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-{[2-{[(2-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-benzyl-4-{[2-{[(2-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
Compound ID: | K284-4704 |
Compound Name: | N-benzyl-4-{[2-{[(2-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
Molecular Weight: | 515.65 |
Molecular Formula: | C30 H30 F N3 O2 S |
Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCc1ccccc1F)C(NCc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 5.8093 |
logD: | 5.8093 |
logSw: | -5.9183 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.376 |
InChI Key: | JLHONIRDLRNXRX-UHFFFAOYSA-N |