3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1-(propan-2-yl)-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-(propan-2-yl)-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-(propan-2-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
Compound characteristics
| Compound ID: | S579-0318 |
| Compound Name: | 3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1-(propan-2-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C25 H33 N3 O4 |
| Smiles: | CC(C)N1C2CCCCC2=C(CC(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6412 |
| logD: | 2.3235 |
| logSw: | -2.8033 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.022 |
| InChI Key: | RUSULWJVXOLBOJ-OAQYLSRUSA-N |