5-oxo-1-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H,8H-[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
5-oxo-1-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H,8H-[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
5-oxo-1-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H,8H-[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | F083-0376 |
| Compound Name: | 5-oxo-1-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H,8H-[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 465.43 |
| Molecular Formula: | C19 H10 F3 N3 O4 S2 |
| Smiles: | C1Oc2cc3C(NC4=C(C(Nc5cccc(c5)C(F)(F)F)=O)SC(N4c3cc2O1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1068 |
| logD: | 4.1067 |
| logSw: | -4.3868 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.183 |
| InChI Key: | RIRUZJAKASTRFC-UHFFFAOYSA-N |