Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-2-(phenylthio)-
Basic information
- CAS
136722-82-2- Standard SMILES
CC(C)=CCN1Cc2cccc3nc(Sc4ccccc4)n(c23)CC1C- InChIKey
ZBJVYFQKNIPWPO-UHFFFAOYSA-N- Molecular formula
- C22H25N3S
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.17691898
Names & identifiers
- Preferred name
- Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-2-(phenylthio)-
- IUPAC
- 11-methyl-10-(3-methylbut-2-enyl)-2-phenylsulfanyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene
Names & synonyms
136722-82-2Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-2-(phenylthio)-Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-2-(phenylthio)-, (1)-Imidazo[4,5,1-jk][1,4]benzodiazepine, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-2-(phenylthio)-Imidazo[4,5,1-jk][1,4]benzodiazepine, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-2-(phenylthio)-, (1)-CHEMBL108092DTXSID60929521methyl-(3-methylbut-2-enyl)-phenylsulfanyl-[?]5-Methyl-6-(3-methylbut-2-en-1-yl)-2-(phenylsulfanyl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine
Database identifiers
- CAS
136722-82-2- PubChem CID
- 453590
- DTXSID
DTXSID60929521- ChEMBL
CHEMBL108092- Nikkaji
- J449.407E
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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