3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1-methyl-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
Chemical Structure Depiction of
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1-methyl-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1-methyl-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
Compound characteristics
| Compound ID: | S579-0181 |
| Compound Name: | 3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1-methyl-1,4,5,6,7,7a-hexahydro-2H-indol-2-one |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C23 H29 N3 O4 |
| Smiles: | CN1C2CCCCC2=C(CC(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7236 |
| logD: | 1.4058 |
| logSw: | -2.2093 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.067 |
| InChI Key: | RDBMRXCYSIXFST-LJQANCHMSA-N |