Isodoxa | SBID = 559 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | |||
| Number of H-Bond Donors: | |||
| Number of H-Bond Acceptors: | |||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C23H34N3O32•+Br- | ||
| M / g/mol: | 479.44 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: Isodoxa
- Preferred Abbreviation: Isodoxa
- IUPAC Name: 1-aza-2,2-dimethyl-4-oxa-8-aza-dispiro[4.2.48.25]tetradecane[10,11-f]1’,1’,3’,3’tetramethyl-2’,3’-dihydro-1H-isoindol[5’,6’-f]1,2’-dioxyl Bromide
- CAS:
- CID: -132
- InChiKey: FHNAOMHXIHALKK-UHFFFAOYSA-M
- InChi: InChI=1S/C23H34N3O3.BrH/c1-20(2)15-29-23(24(20)27)7-9-26(10-8-23)13-16-11-18-19(12-17(16)14-26)22(5,6)25(28)21(18,3)4;/h11-12H,7-10,13-15H2,1-6H3;1H/q+1;/p-1
- CanoSmiles:
- IsoSmiles: CC(CO1)(C)N(C1(CC2)CC[N+]32CC4=CC5=C(C(C)(C)N(C5(C)C)[O])C=C4C3)[O].[Br-]
