N-benzyl-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-benzyl-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | A0061083 |
Compound Name: | N-benzyl-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
Molecular Weight: | 455.46 |
Molecular Formula: | C23 H16 F3 N3 O2 S |
Smiles: | C(c1ccccc1)NC(c1ccc2C(N(C(Nc2c1)=S)c1cccc(c1)C(F)(F)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.3412 |
logD: | 4.3386 |
logSw: | -4.4451 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 51.12 |
InChI Key: | IFNVTSPDMUUAFY-UHFFFAOYSA-N |