{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3-methyl-2-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3-methyl-2-nitrophenyl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3-methyl-2-nitrophenyl)methanone
Compound characteristics
| Compound ID: | Y032-3253 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3-methyl-2-nitrophenyl)methanone |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C20 H21 N3 O5 |
| Smiles: | Cc1cccc(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7667 |
| logD: | 2.5751 |
| logSw: | -3.2016 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.322 |
| InChI Key: | KRKIQPBCGRJHLI-UHFFFAOYSA-N |