ethyl 3-(2-bromoanilino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate
Chemical Structure Depiction of
ethyl 3-(2-bromoanilino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate
ethyl 3-(2-bromoanilino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate
Compound characteristics
| Compound ID: | 4459-0004 |
| Compound Name: | ethyl 3-(2-bromoanilino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate |
| Molecular Weight: | 443.34 |
| Molecular Formula: | C22 H23 Br N2 O3 |
| Smiles: | CCOC(C(=C1/c2ccccc2CC(C)(C)N1)\C(Nc1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7906 |
| logD: | 4.772 |
| logSw: | -4.5871 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.828 |
| InChI Key: | JSEYSNAVBBUPMD-UHFFFAOYSA-N |