1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(3-nitrophenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(3-nitrophenyl)prop-2-en-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(3-nitrophenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y032-1707 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(3-nitrophenyl)prop-2-en-1-one |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C21 H21 N3 O5 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(/C=C/c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9018 |
| logD: | 2.7193 |
| logSw: | -3.236 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.397 |
| InChI Key: | NIYUNTJZZISBOG-UHFFFAOYSA-N |