4-oxo-3-pentyl-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
4-oxo-3-pentyl-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
4-oxo-3-pentyl-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061366 |
| Compound Name: | 4-oxo-3-pentyl-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 435.47 |
| Molecular Formula: | C21 H20 F3 N3 O2 S |
| Smiles: | CCCCCN1C(c2ccc(cc2NC1=S)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7622 |
| logD: | 5.7371 |
| logSw: | -5.3436 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.659 |
| InChI Key: | PUOCOEZQJODRLQ-UHFFFAOYSA-N |