N-(3-chloro-2-methylphenyl)-2-{4-[2-({[4-(4-methylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{4-[2-({[4-(4-methylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazin-1-yl}acetamide
N-(3-chloro-2-methylphenyl)-2-{4-[2-({[4-(4-methylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | 4506-0552 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{4-[2-({[4-(4-methylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 523.08 |
| Molecular Formula: | C29 H35 Cl N4 O3 |
| Smiles: | Cc1ccc(cc1)C1CC(C(=CNCCN2CCN(CC2)CC(Nc2cccc(c2C)[Cl])=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8166 |
| logD: | 3.4896 |
| logSw: | -4.1922 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.331 |
| InChI Key: | MRYGTCXYXWMUKK-UHFFFAOYSA-N |