2-({[2-(4-acetylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-tert-butylphenyl)cyclohexane-1,3-dione
Chemical Structure Depiction of
2-({[2-(4-acetylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-tert-butylphenyl)cyclohexane-1,3-dione
2-({[2-(4-acetylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-tert-butylphenyl)cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4779-0112 |
| Compound Name: | 2-({[2-(4-acetylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-tert-butylphenyl)cyclohexane-1,3-dione |
| Molecular Weight: | 425.57 |
| Molecular Formula: | C25 H35 N3 O3 |
| Smiles: | CC(N1CCN(CCNC=C2C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)=O)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6444 |
| logD: | 2.5846 |
| logSw: | -2.8612 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.535 |
| InChI Key: | VQSPOKCQBQECGH-UHFFFAOYSA-N |