ethyl (2E)-3-[3-(3-fluorophenyl)-7-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]but-2-enoate
Chemical Structure Depiction of
ethyl (2E)-3-[3-(3-fluorophenyl)-7-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]but-2-enoate
ethyl (2E)-3-[3-(3-fluorophenyl)-7-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]but-2-enoate
Compound characteristics
| Compound ID: | 6395-0110 |
| Compound Name: | ethyl (2E)-3-[3-(3-fluorophenyl)-7-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]but-2-enoate |
| Molecular Weight: | 408.47 |
| Molecular Formula: | C24 H25 F N2 O3 |
| Smiles: | CCOC(\C=C(/C)N1C(C2CCc3cc(ccc3C2=N1)OC)c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6668 |
| logD: | 5.6666 |
| logSw: | -5.5226 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.584 |
| InChI Key: | XKNITNZFPVZCAL-UHFFFAOYSA-N |