{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(2-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(2-nitrophenyl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(2-nitrophenyl)methanone
Compound characteristics
| Compound ID: | Y032-1410 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(2-nitrophenyl)methanone |
| Molecular Weight: | 369.38 |
| Molecular Formula: | C19 H19 N3 O5 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8742 |
| logD: | 1.6827 |
| logSw: | -2.8351 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.623 |
| InChI Key: | SSVXMQZHNWEVNK-UHFFFAOYSA-N |