2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | E613-0230 |
| Compound Name: | 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 466.45 |
| Molecular Formula: | C23 H22 N4 O7 |
| Smiles: | C1CN(CCN1C(COCc1cc(c2ccc3c(c2)OCO3)on1)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0255 |
| logD: | 3.0255 |
| logSw: | -3.3466 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 100.581 |
| InChI Key: | XEQCKYVKGQUQQQ-UHFFFAOYSA-N |