6-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-7-(prop-2-en-1-yl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
6-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-7-(prop-2-en-1-yl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-7-(prop-2-en-1-yl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | L541-0253 |
| Compound Name: | 6-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-7-(prop-2-en-1-yl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C22 H18 N4 O4 S2 |
| Smiles: | CSc1ccc(cc1)c1nc(CSC2=Nc3cc4c(cc3C(N2CC=C)=O)OCO4)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.485 |
| logD: | 5.485 |
| logSw: | -5.3764 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.479 |
| InChI Key: | DJJHCDCOLAWKNP-UHFFFAOYSA-N |