ethyl (2Z)-(4a-methyl-1,3,4,4a,5,12c-hexahydrobenzo[k]phenanthridin-6(2H)-ylidene)acetate
Chemical Structure Depiction of
ethyl (2Z)-(4a-methyl-1,3,4,4a,5,12c-hexahydrobenzo[k]phenanthridin-6(2H)-ylidene)acetate
ethyl (2Z)-(4a-methyl-1,3,4,4a,5,12c-hexahydrobenzo[k]phenanthridin-6(2H)-ylidene)acetate
Compound characteristics
| Compound ID: | 8012-9955 |
| Compound Name: | ethyl (2Z)-(4a-methyl-1,3,4,4a,5,12c-hexahydrobenzo[k]phenanthridin-6(2H)-ylidene)acetate |
| Molecular Weight: | 335.45 |
| Molecular Formula: | C22 H25 N O2 |
| Smiles: | CCOC(/C=C1/c2ccc3ccccc3c2C2CCCCC2(C)N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5227 |
| logD: | 5.5184 |
| logSw: | -6.4783 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.626 |
| InChI Key: | VAZRPGPBFIBQRT-UHFFFAOYSA-N |