1-[9-(3-fluorophenyl)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,9,9a,10,10a,10b,11,12,12a-hexadecahydronaphtho[2',1':4,5]indeno[1,2-c]pyrazol-8(1H)-yl]propan-1-one
Chemical Structure Depiction of
1-[9-(3-fluorophenyl)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,9,9a,10,10a,10b,11,12,12a-hexadecahydronaphtho[2',1':4,5]indeno[1,2-c]pyrazol-8(1H)-yl]propan-1-one
1-[9-(3-fluorophenyl)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,9,9a,10,10a,10b,11,12,12a-hexadecahydronaphtho[2',1':4,5]indeno[1,2-c]pyrazol-8(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | Y505-3040 |
| Compound Name: | 1-[9-(3-fluorophenyl)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,9,9a,10,10a,10b,11,12,12a-hexadecahydronaphtho[2',1':4,5]indeno[1,2-c]pyrazol-8(1H)-yl]propan-1-one |
| Molecular Weight: | 450.64 |
| Molecular Formula: | C29 H39 F N2 O |
| Smiles: | CCC(N1C(C2CC3C4CCC5CCCCC5(C)C4CCC3(C)C2=N1)c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.0549 |
| logD: | 7.0549 |
| logSw: | -6.0058 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.6926 |
| InChI Key: | FTODTWDQQDCOFV-UHFFFAOYSA-N |