methyl 4-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylanilino}-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylanilino}-4-oxobutanoate
methyl 4-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylanilino}-4-oxobutanoate
Compound characteristics
| Compound ID: | 8016-5704 |
| Compound Name: | methyl 4-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylanilino}-4-oxobutanoate |
| Molecular Weight: | 405.28 |
| Molecular Formula: | C20 H18 Cl2 N2 O3 |
| Smiles: | Cc1cc(C(C#N)c2ccc(cc2)[Cl])c(cc1NC(CCC(=O)OC)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9724 |
| logD: | 3.972 |
| logSw: | -4.4522 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.054 |
| InChI Key: | ZTSKUKQYVBFLJJ-INIZCTEOSA-N |