6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-[(furan-2-yl)methyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-[(furan-2-yl)methyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-[(furan-2-yl)methyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | L541-0589 |
| Compound Name: | 6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-[(furan-2-yl)methyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 504.48 |
| Molecular Formula: | C24 H16 N4 O7 S |
| Smiles: | C(c1ccco1)N1C(=Nc2cc3c(cc2C1=O)OCO3)SCc1nc(c2ccc3c(c2)OCO3)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.0559 |
| logD: | 5.0559 |
| logSw: | -4.9355 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.094 |
| InChI Key: | JBQJGYNOGMGDAQ-UHFFFAOYSA-N |