3-benzyl-4-oxo-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-4-oxo-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-benzyl-4-oxo-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061278 |
| Compound Name: | 3-benzyl-4-oxo-2-sulfanylidene-N-[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)N1C(c2ccc(cc2NC1=S)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4533 |
| logD: | 5.4281 |
| logSw: | -5.9468 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.409 |
| InChI Key: | JUHDTUPDEWAMJU-UHFFFAOYSA-N |