2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(2-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(2-nitrophenyl)ethan-1-one
2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(2-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 4282-0013 |
| Compound Name: | 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(2-nitrophenyl)ethan-1-one |
| Molecular Weight: | 322.36 |
| Molecular Formula: | C19 H18 N2 O3 |
| Smiles: | CC1(C)Cc2ccccc2/C(=C/C(c2ccccc2[N+]([O-])=O)=O)N1 |
| Stereo: | ACHIRAL |
| logP: | 3.94 |
| logD: | 3.94 |
| logSw: | -4.1786 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.317 |
| InChI Key: | WDNDYQVSXPTYCM-UHFFFAOYSA-N |