6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(propan-2-yl)-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-(propan-2-yl)-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-(propan-2-yl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | L541-0375 |
| Compound Name: | 6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(propan-2-yl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 466.47 |
| Molecular Formula: | C22 H18 N4 O6 S |
| Smiles: | CC(C)N1C(=Nc2cc3c(cc2C1=O)OCO3)SCc1nc(c2ccc3c(c2)OCO3)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.9276 |
| logD: | 4.9276 |
| logSw: | -4.6582 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.337 |
| InChI Key: | AHHGCZXYCDTVHJ-UHFFFAOYSA-N |