4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061456 |
| Compound Name: | 4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 421.4 |
| Molecular Formula: | C19 H14 F3 N3 O3 S |
| Smiles: | C=CCN1C(c2ccc(cc2NC1=S)C(Nc1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4851 |
| logD: | 4.4775 |
| logSw: | -4.462 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.596 |
| InChI Key: | FMVJIZYQVRAAJL-UHFFFAOYSA-N |