2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile
Compound characteristics
| Compound ID: | 7682-0071 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxo-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile |
| Molecular Weight: | 409.49 |
| Molecular Formula: | C22 H27 N5 O3 |
| Smiles: | C1CCC2(CC1)C(C#N)C(N=C(N2)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9851 |
| logD: | 1.9851 |
| logSw: | -2.8493 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.66 |
| InChI Key: | SDOMBGQEXCPWSC-QGZVFWFLSA-N |