7-(3-methylbutyl)-6-{[(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
7-(3-methylbutyl)-6-{[(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
7-(3-methylbutyl)-6-{[(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | L541-0561 |
| Compound Name: | 7-(3-methylbutyl)-6-{[(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C26 H28 N4 O5 S |
| Smiles: | CC(C)CCN1C(=Nc2cc3c(cc2C1=O)OCO3)SCc1nc(c2ccc(cc2)OC(C)C)no1 |
| Stereo: | ACHIRAL |
| logP: | 6.5249 |
| logD: | 6.5249 |
| logSw: | -5.5667 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.282 |
| InChI Key: | IMGIGCNVKDYHJE-UHFFFAOYSA-N |