9-benzyl-4-oxo-2-(4-phenylpiperazin-1-yl)-1,3,9-triazaspiro[5.5]undec-2-ene-5-carbonitrile
Chemical Structure Depiction of
9-benzyl-4-oxo-2-(4-phenylpiperazin-1-yl)-1,3,9-triazaspiro[5.5]undec-2-ene-5-carbonitrile
9-benzyl-4-oxo-2-(4-phenylpiperazin-1-yl)-1,3,9-triazaspiro[5.5]undec-2-ene-5-carbonitrile
Compound characteristics
| Compound ID: | Y020-2855 |
| Compound Name: | 9-benzyl-4-oxo-2-(4-phenylpiperazin-1-yl)-1,3,9-triazaspiro[5.5]undec-2-ene-5-carbonitrile |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C26 H30 N6 O |
| Smiles: | C1CN(CCC12C(C#N)C(N=C(N2)N1CCN(CC1)c1ccccc1)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6997 |
| logD: | -2.2929 |
| logSw: | -2.9436 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.805 |
| InChI Key: | BBFOMBWDGLUODL-HSZRJFAPSA-N |