6-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[3-(trifluoromethyl)phenyl]hexanamide
Chemical Structure Depiction of
6-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[3-(trifluoromethyl)phenyl]hexanamide
6-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[3-(trifluoromethyl)phenyl]hexanamide
Compound characteristics
Compound ID: | K284-0892 |
Compound Name: | 6-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[3-(trifluoromethyl)phenyl]hexanamide |
Molecular Weight: | 435.47 |
Molecular Formula: | C21 H20 F3 N3 O2 S |
Smiles: | C(CCC(Nc1cccc(c1)C(F)(F)F)=O)CCN1C(c2ccccc2NC1=S)=O |
Stereo: | ACHIRAL |
logP: | 4.7017 |
logD: | 4.7006 |
logSw: | -4.4405 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 50.446 |
InChI Key: | WAVMLUOKTDSQRA-UHFFFAOYSA-N |