1-[8-methoxy-3-(4-methylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[8-methoxy-3-(4-methylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]ethan-1-one
1-[8-methoxy-3-(4-methylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]ethan-1-one
Compound characteristics
Compound ID: | 6395-0082 |
Compound Name: | 1-[8-methoxy-3-(4-methylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]ethan-1-one |
Molecular Weight: | 334.42 |
Molecular Formula: | C21 H22 N2 O2 |
Smiles: | CC(N1C(C2CCc3ccc(cc3C2=N1)OC)c1ccc(C)cc1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.6444 |
logD: | 4.6443 |
logSw: | -4.6682 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 33.832 |
InChI Key: | AJKBSUYEDNJKGD-UHFFFAOYSA-N |