methyl 3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-2-oxopropanoate
Chemical Structure Depiction of
methyl 3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-2-oxopropanoate
methyl 3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-2-oxopropanoate
Compound characteristics
| Compound ID: | 8013-6282 |
| Compound Name: | methyl 3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-2-oxopropanoate |
| Molecular Weight: | 259.3 |
| Molecular Formula: | C15 H17 N O3 |
| Smiles: | [H]N1C(=C/C(C(=O)OC)=O)\c2ccccc2CC1(C)C |
| Stereo: | ACHIRAL |
| logP: | 2.6564 |
| logD: | 2.6563 |
| logSw: | -3.3779 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.682 |
| InChI Key: | PFDIGXNUTZCHJU-UHFFFAOYSA-N |