1-[8-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]propan-1-one
Chemical Structure Depiction of
1-[8-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]propan-1-one
1-[8-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]propan-1-one
Compound characteristics
| Compound ID: | 1653-0057 |
| Compound Name: | 1-[8-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]propan-1-one |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C21 H21 N3 O4 |
| Smiles: | CCC(N1C(C2CCc3ccc(cc3C2=N1)OC)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5833 |
| logD: | 4.5833 |
| logSw: | -4.7021 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.219 |
| InChI Key: | VCYUDXWYMNRUGK-UHFFFAOYSA-N |