5-Fluoro ADB Metabolite 2
CAS: 2642091-65-2
| 1 | 5-Fluoro ADB Metabolite 2 |
| 2 | methyl (s)-2-(1-(5-hydroxypentyl)-1h-indazole-3-carboxamido)-3,3-dimethylbutanoate |
| 3 | methyl(S)-2-(1-(5-hydroxypentyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate |
| 4 | DTXSID401342118 |
| 5 | PD078174 |
No description available for this item
| Molecular Formula | C20H29N3O4 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 375.5000 |
| InChIKey | NSZKXPRDEZMVDK-QGZVFWFLSA-N |
| InChI | InChI=1S/C20H29N3O4/c1-20(2,3)17(19(26)27-4)21-18(25)16-14-10-6-7-11-15(14)23(22-16)12-8-5-9-13-24/h6-7,10-11,17,24H,5,8-9,12-13H2,1-4H3,(H,21,25)/t17-/m1/s1 |
| XLogP | 3.2000 |
| ExactMass | 375.2158 |
| MonoisotopicMass | 375.2158 |
| TPSA | 93.5000 |
| Complexity | 506.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 10 |
| HeavyAtomCount | 27 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 1 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 1 |