9-benzyl-2-(4-ethylpiperazin-1-yl)-4-oxo-1,3,9-triazaspiro[5.5]undec-2-ene-5-carbonitrile
Chemical Structure Depiction of
9-benzyl-2-(4-ethylpiperazin-1-yl)-4-oxo-1,3,9-triazaspiro[5.5]undec-2-ene-5-carbonitrile
9-benzyl-2-(4-ethylpiperazin-1-yl)-4-oxo-1,3,9-triazaspiro[5.5]undec-2-ene-5-carbonitrile
Compound characteristics
| Compound ID: | Y020-2861 |
| Compound Name: | 9-benzyl-2-(4-ethylpiperazin-1-yl)-4-oxo-1,3,9-triazaspiro[5.5]undec-2-ene-5-carbonitrile |
| Molecular Weight: | 394.52 |
| Molecular Formula: | C22 H30 N6 O |
| Smiles: | CCN1CCN(CC1)C1NC2(CCN(CC2)Cc2ccccc2)C(C#N)C(N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2272 |
| logD: | 1.2272 |
| logSw: | -2.1352 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.081 |
| InChI Key: | GUCASFRTKWGJJR-LJQANCHMSA-N |