N-(4-chlorophenyl)-4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carboxamide
N-(4-chlorophenyl)-4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | 4779-0099 |
| Compound Name: | N-(4-chlorophenyl)-4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carboxamide |
| Molecular Weight: | 541.05 |
| Molecular Formula: | C28 H33 Cl N4 O5 |
| Smiles: | COc1ccc(cc1OC)C1CC(C(=CNCCN2CCN(CC2)C(Nc2ccc(cc2)[Cl])=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4505 |
| logD: | 1.8772 |
| logSw: | -3.6053 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.877 |
| InChI Key: | LTFQTZXERMTFSM-UHFFFAOYSA-N |