ethyl (2E)-3-[8-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]but-2-enoate
Chemical Structure Depiction of
ethyl (2E)-3-[8-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]but-2-enoate
ethyl (2E)-3-[8-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]but-2-enoate
Compound characteristics
| Compound ID: | 1653-0059 |
| Compound Name: | ethyl (2E)-3-[8-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]but-2-enoate |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C24 H25 N3 O5 |
| Smiles: | CCOC(\C=C(/C)N1C(C2CCc3ccc(cc3C2=N1)OC)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.515 |
| logD: | 5.515 |
| logSw: | -5.5307 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.965 |
| InChI Key: | YHTCPFIOSKDRNS-UHFFFAOYSA-N |