3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}quinazoline-2,4(1H,3H)-dione
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | F406-0867 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 486.51 |
| Molecular Formula: | C25 H18 N4 O5 S |
| Smiles: | CSc1ccc(cc1)c1nc(c2ccc3C(N(Cc4ccc5c(c4)OCO5)C(Nc3c2)=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.6963 |
| logD: | 5.6962 |
| logSw: | -5.4374 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.002 |
| InChI Key: | OIDUNLMXMBONMC-UHFFFAOYSA-N |