7-butyl-6-[({3-[4-(methylsulfanyl)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-butyl-6-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
7-butyl-6-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | L541-0142 |
| Compound Name: | 7-butyl-6-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C23 H22 N4 O4 S2 |
| Smiles: | CCCCN1C(=Nc2cc3c(cc2C1=O)OCO3)SCc1nc(c2ccc(cc2)SC)no1 |
| Stereo: | ACHIRAL |
| logP: | 6.2626 |
| logD: | 6.2626 |
| logSw: | -5.3681 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.479 |
| InChI Key: | FXLHKIQVLGGLCU-UHFFFAOYSA-N |