Basic information
- CAS
134828-31-2- Standard SMILES
COc1ccc2[nH]cc(C3N4CC5(C)CN3CC(C)(C4)C5=O)c2c1- InChIKey
PNTTYTFEXVOBKE-UHFFFAOYSA-N- Molecular formula
- C19H23N3O2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.17902698
Names & identifiers
- Preferred name
- 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-(5-methoxy-1H-indol-3-yl)-
- IUPAC
- 2-(5-methoxy-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Names & synonyms
134828-31-2BRN 48829841,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-(5-methoxy-1H-indol-3-yl)-5,7-Dimethyl-2-(5-methoxy-1H-indol-3-yl)-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-oneDTXSID10158985RefChem:218343DTXCID0081476MLS0001156672-(5-methoxy-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-oneSMR0000114792-(5-methoxy-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-one2-(5-Methoxy-1H-indol-3-yl)-5,7-dimethyl-1,3-diaza-tricyclo[3.3.1.1*3,7*]decan-6-one
Show more names
Opera_ID_1002Oprea1_095724MLS000033789CHEMBL1384708HMS2476C20CCG-25626STK525768AKOS000588981
Database identifiers
- CAS
134828-31-2- PubChem CID
- 650307
- DTXSID
DTXSID10158985- ChEMBL
CHEMBL1384708
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 525
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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