6-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-[(pyridin-4-yl)methyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
6-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-[(pyridin-4-yl)methyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-[(pyridin-4-yl)methyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | L541-0838 |
| Compound Name: | 6-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-[(pyridin-4-yl)methyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 489.48 |
| Molecular Formula: | C24 H16 F N5 O4 S |
| Smiles: | C(c1ccncc1)N1C(=Nc2cc3c(cc2C1=O)OCO3)SCc1nc(c2ccc(cc2)F)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.5543 |
| logD: | 4.5531 |
| logSw: | -4.4006 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.658 |
| InChI Key: | NYRSYHPMIZCKBQ-UHFFFAOYSA-N |