ethyl 4-[(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino]benzoate
ethyl 4-[(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino]benzoate
Compound characteristics
| Compound ID: | 1736-0032 |
| Compound Name: | ethyl 4-[(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino]benzoate |
| Molecular Weight: | 322.41 |
| Molecular Formula: | C20 H22 N2 O2 |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/c2ccccc2CC(C)(C)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.325 |
| logD: | 4.2044 |
| logSw: | -4.2199 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.876 |
| InChI Key: | AIFKCAZLZXYWIQ-UHFFFAOYSA-N |