(1R,12R)-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione
Basic information
- CAS
67811-40-9- Standard SMILES
O=C1C2C[C@@H]3c4ccccc4N[C@@H]3N2C(=O)C2CCCN12- InChIKey
TUIOKEHXXWDGSL-WKIYYKSKSA-N- Molecular formula
- C16H17N3O2
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.13207679
Names & identifiers
- Preferred name
- (1R,12R)-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione
- IUPAC
- (1R,12R)-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione
Names & synonyms
NSC35197767811-40-9DTXSID60319943NSC-351977(6aR,11aR)-2,3,6,6a,11,11a-Hexahydro-1H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-5,13(5aH,13aH)-dione
Database identifiers
- CAS
67811-40-9- PubChem CID
- 336772
- DTXSID
DTXSID60319943
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 508
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Compound notes
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