4-oxo-2-sulfanylidene-N,3-bis[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
4-oxo-2-sulfanylidene-N,3-bis[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
4-oxo-2-sulfanylidene-N,3-bis[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061850 |
| Compound Name: | 4-oxo-2-sulfanylidene-N,3-bis[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 509.43 |
| Molecular Formula: | C23 H13 F6 N3 O2 S |
| Smiles: | c1cc(cc(c1)NC(c1ccc2C(N(C(Nc2c1)=S)c1cccc(c1)C(F)(F)F)=O)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.7186 |
| logD: | 5.6934 |
| logSw: | -6.0366 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.798 |
| InChI Key: | ZXXSMFQLXDQPDL-UHFFFAOYSA-N |