6-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(3-methylbutyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
6-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(3-methylbutyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(3-methylbutyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | L541-0565 |
| Compound Name: | 6-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(3-methylbutyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 510.57 |
| Molecular Formula: | C25 H26 N4 O6 S |
| Smiles: | CC(C)CCN1C(=Nc2cc3c(cc2C1=O)OCO3)SCc1nc(c2ccc(c(c2)OC)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.4808 |
| logD: | 5.4808 |
| logSw: | -5.3693 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.74 |
| InChI Key: | OXSKMVMAFCKPOP-UHFFFAOYSA-N |