6-[({3-[4-(methylsulfanyl)phenyl]-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-(methylsulfanyl)phenyl]-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-(methylsulfanyl)phenyl]-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: | L541-0401 |
| Compound Name: | 6-[({3-[4-(methylsulfanyl)phenyl]-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: | 468.55 |
| Molecular Formula: | C22 H20 N4 O4 S2 |
| Smiles: | CC(C)N1C(=Nc2cc3c(cc2C1=O)OCO3)SCc1nc(c2ccc(cc2)SC)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.7263 |
| logD: | 5.7263 |
| logSw: | -5.4351 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.222 |
| InChI Key: | OSSFXZBXMZGSLZ-UHFFFAOYSA-N |