5-(4-chlorophenyl)-2-[({2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
Chemical Structure Depiction of
5-(4-chlorophenyl)-2-[({2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
5-(4-chlorophenyl)-2-[({2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4038-0097 |
| Compound Name: | 5-(4-chlorophenyl)-2-[({2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione |
| Molecular Weight: | 445.99 |
| Molecular Formula: | C24 H32 Cl N3 O3 |
| Smiles: | CC(C)CC(N1CCN(CCNC=C2C(CC(CC2=O)c2ccc(cc2)[Cl])=O)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5547 |
| logD: | 2.4627 |
| logSw: | -3.6087 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.54 |
| InChI Key: | BYBHBKHHEZSTLX-UHFFFAOYSA-N |