ethyl 3-(2-chloroanilino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate
Chemical Structure Depiction of
ethyl 3-(2-chloroanilino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate
ethyl 3-(2-chloroanilino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate
Compound characteristics
| Compound ID: | 4459-0019 |
| Compound Name: | ethyl 3-(2-chloroanilino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate |
| Molecular Weight: | 398.89 |
| Molecular Formula: | C22 H23 Cl N2 O3 |
| Smiles: | CCOC(C(=C1/c2ccccc2CC(C)(C)N1)\C(Nc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5786 |
| logD: | 4.4467 |
| logSw: | -4.5434 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.828 |
| InChI Key: | JLTSIMKOUQHWEQ-UHFFFAOYSA-N |