ethyl 3-(2,4-dichloroanilino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate
Chemical Structure Depiction of
ethyl 3-(2,4-dichloroanilino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate
ethyl 3-(2,4-dichloroanilino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate
Compound characteristics
| Compound ID: | 2550-0304 |
| Compound Name: | ethyl 3-(2,4-dichloroanilino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate |
| Molecular Weight: | 433.33 |
| Molecular Formula: | C22 H22 Cl2 N2 O3 |
| Smiles: | CCOC(C(=C1/c2ccccc2CC(C)(C)N1)\C(Nc1ccc(cc1[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4696 |
| logD: | 4.1035 |
| logSw: | -5.8227 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.828 |
| InChI Key: | QUCLDYXMUZHWNE-UHFFFAOYSA-N |