Agn-PC-0jregv
Basic information
- CAS
136722-84-4- Standard SMILES
COc1nc2cccc3c2n1CC(C)N(CC=C(C)C)C3- InChIKey
FURQJJKMMDAQSF-UHFFFAOYSA-N- Molecular formula
- C17H23N3O
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.18411237
Names & identifiers
- Preferred name
- Agn-PC-0jregv
- IUPAC
- 2-methoxy-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene
Names & synonyms
136722-84-4AGN-PC-0JREGVCHEMBL323215DTXSID80332376methoxy-methyl-(3-methylbut-2-enyl)[?]2-Methoxy-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepineImidazo[4,5,1-jk][1,4]benzodiazepine, 4,5,6,7-tetrahydro-2-methoxy-5-methyl-6-(3-methyl-2-butenyl)-, (2E)-2-butenedioate (2:3)
Database identifiers
- CAS
136722-84-4- PubChem CID
- 453591
- DTXSID
DTXSID80332376- ChEMBL
CHEMBL323215- Nikkaji
- J449.408C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 393
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Related reactions
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Compound notes
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