7-(3-methoxypropyl)-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-methoxypropyl)-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-methoxypropyl)-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: | L541-0576 |
| Compound Name: | 7-(3-methoxypropyl)-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: | 510.57 |
| Molecular Formula: | C25 H26 N4 O6 S |
| Smiles: | CC(C)Oc1ccc(cc1)c1nc(CSC2=Nc3cc4c(cc3C(N2CCCOC)=O)OCO4)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.1405 |
| logD: | 5.1405 |
| logSw: | -4.8774 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.624 |
| InChI Key: | QLLHEZKNKKVGBC-UHFFFAOYSA-N |