{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-methyl-3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-methyl-3-nitrophenyl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | 4100-2294 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C20 H21 N3 O5 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5535 |
| logD: | 2.3619 |
| logSw: | -2.7421 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.623 |
| InChI Key: | ISWVUYGWTNZQPZ-UHFFFAOYSA-N |