1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-(1,2-dimethyl-5-methoxy-1H-indol-3-yl)-
Basic information
- CAS
134828-32-3- Standard SMILES
COc1ccc2c(c1)c(C1N3CC4(C)CN1CC(C)(C3)C4=O)c(C)n2C- InChIKey
OEEJEIOABUQVPK-UHFFFAOYSA-N- Molecular formula
- C21H27N3O2
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.21032711
Names & identifiers
- Preferred name
- 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-(1,2-dimethyl-5-methoxy-1H-indol-3-yl)-
- IUPAC
- 2-(5-methoxy-1,2-dimethylindol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Names & synonyms
BRN 4886174134828-32-31,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-(1,2-dimethyl-5-methoxy-1H-indol-3-yl)-DTXSID70158986RefChem:218338DTXCID50814772-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-oneCBMicro_013853Oprea1_746978SMSF0008113STK668208
Show more names
AKOS000506250CB07262BIM-0013791.P001AB00098601-01AG-205/33676045(1r,5R,7S)-2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-one
Database identifiers
- CAS
134828-32-3- PubChem CID
- 2298575
- DTXSID
DTXSID70158986
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 582
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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