methyl 4-oxo-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-0396 |
| Compound Name: | methyl 4-oxo-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 396.34 |
| Molecular Formula: | C17 H11 F3 N2 O4 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1494 |
| logD: | 4.1281 |
| logSw: | -4.4199 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.817 |
| InChI Key: | VQSZJMFJMWZOIV-UHFFFAOYSA-N |