7-(prop-2-en-1-yl)-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
7-(prop-2-en-1-yl)-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
7-(prop-2-en-1-yl)-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | L541-0244 |
| Compound Name: | 7-(prop-2-en-1-yl)-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 488.44 |
| Molecular Formula: | C22 H15 F3 N4 O4 S |
| Smiles: | C=CCN1C(=Nc2cc3c(cc2C1=O)OCO3)SCc1nc(c2cccc(c2)C(F)(F)F)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.5674 |
| logD: | 5.5674 |
| logSw: | -6.0088 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.479 |
| InChI Key: | VWTKZDXRJFWBDU-UHFFFAOYSA-N |