{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-chloro-2-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-chloro-2-nitrophenyl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-chloro-2-nitrophenyl)methanone
Compound characteristics
| Compound ID: | Y032-1532 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-chloro-2-nitrophenyl)methanone |
| Molecular Weight: | 403.82 |
| Molecular Formula: | C19 H18 Cl N3 O5 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccc(cc1[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5674 |
| logD: | 2.3759 |
| logSw: | -3.4051 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.623 |
| InChI Key: | WSKFNPDSRZTIHF-UHFFFAOYSA-N |