1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-(1H-indol-3-yl)-

HCID 64580

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Basic information

CAS: 108790-75-6
Standard SMILES: CC12CN3CC(C)(CN(C1)C3c1c[nH]c3ccccc13)C2=O
InChIKey: YFBNTNXPUSHROV-UHFFFAOYSA-N
Molecular formula: C18H21N3O
Average molar mass: 295.4 g/mol
Monoisotopic mass: 295.1684623

Names & identifiers

Preferred name: 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-(1H-indol-3-yl)-
IUPAC: 2-(1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

Names & synonyms

108790-75-61,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-(1H-indol-3-yl)-BRN 48792152-(Indolyl-3)-5,7-dimethyl-6-oxo-1,3-diazaadamantaneDTXSID001487395,7-Dimethyl-2-(1H-indol-3-yl)-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-oneRefChem:218340DTXCID70712302-(1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one(1R,3S,5r,7r)-2-(1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-one2-(1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one2-(1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-one

Show more names

(5r)-2-(1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1?,?]decan-6-one2-(1H-INDOL-3-YL)-5,7-DIMETHYL-1,3-DIAZATRICYCLO[3.3.1.1(3),?]DECAN-6-ONE2-(1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1(3),]decan-6-oneChemDiv1_023793Oprea1_442825Oprea1_605572MLS000708923CHEMBL1900180

Database identifiers

CAS: 108790-75-6

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 39.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 478

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