6-({[3-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-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: | L541-0386 |
| Compound Name: | 6-({[3-(4-methylphenyl)-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: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | CC(C)N1C(=Nc2cc3c(cc2C1=O)OCO3)SCc1nc(c2ccc(C)cc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.4304 |
| logD: | 5.4304 |
| logSw: | -5.3739 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.222 |
| InChI Key: | VXMVOEOLXOVACN-UHFFFAOYSA-N |