N-benzyl-4-{[4-oxo-2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-{[4-oxo-2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-benzyl-4-{[4-oxo-2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
Compound ID: | K284-4716 |
Compound Name: | N-benzyl-4-{[4-oxo-2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
Molecular Weight: | 608.68 |
Molecular Formula: | C32 H31 F3 N4 O3 S |
Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC(Nc1ccccc1C(F)(F)F)=O)C(NCc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 5.4363 |
logD: | 5.4363 |
logSw: | -5.708 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.828 |
InChI Key: | QAZQDENZVUYSIP-UHFFFAOYSA-N |