6-({[3-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-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: | L541-0242 |
| Compound Name: | 6-({[3-(3,5-dimethoxyphenyl)-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: | 480.5 |
| Molecular Formula: | C23 H20 N4 O6 S |
| Smiles: | COc1cc(cc(c1)OC)c1nc(CSC2=Nc3cc4c(cc3C(N2CC=C)=O)OCO4)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.7327 |
| logD: | 4.7327 |
| logSw: | -4.5197 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.567 |
| InChI Key: | WIPRVJBVIAAVFK-UHFFFAOYSA-N |