7-(3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}propyl)-2H-[1,3]dioxolo[4,5-g]quinazoline-6,8(5H,7H)-dione
Chemical Structure Depiction of
7-(3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}propyl)-2H-[1,3]dioxolo[4,5-g]quinazoline-6,8(5H,7H)-dione
7-(3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}propyl)-2H-[1,3]dioxolo[4,5-g]quinazoline-6,8(5H,7H)-dione
Compound characteristics
| Compound ID: | E843-1405 |
| Compound Name: | 7-(3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}propyl)-2H-[1,3]dioxolo[4,5-g]quinazoline-6,8(5H,7H)-dione |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C21 H18 N4 O5 S |
| Smiles: | CSc1ccc(cc1)c1nc(CCCN2C(c3cc4c(cc3NC2=O)OCO4)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.2992 |
| logD: | 4.2831 |
| logSw: | -4.2038 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.917 |
| InChI Key: | XXHCYVXDUIWNCJ-UHFFFAOYSA-N |