Basic information
- CAS
122321-07-7- Standard SMILES
CN1Cc2c(C(=O)C3CC3)ncn2-c2ccc(F)cc2C1=O- InChIKey
SURBTMORCCCDDK-UHFFFAOYSA-N- Molecular formula
- C16H14FN3O2
- Average molar mass
- 299.3 g/mol
- Monoisotopic mass
- 299.10700486
Overview
a 3-cyclopropyl carbonyl imidazobenzodiazepine; structure given in first source
Names & identifiers
- Preferred name
- RU 34030
- IUPAC
- 3-(cyclopropanecarbonyl)-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
Names & synonyms
RU 34030122321-07-7RU-34030DTXSID101535716H-Imidazo(1,5-a)(1,4)benzodiazepin-6-one, 3-(cyclopropylcarbonyl)-8-fluoro-4,5-dihydro-5-methyl-RefChem:180122DTXCID30760623-(cyclopropanecarbonyl)-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-oneorb1695377SCHEMBL10573331AKOS0407538523-(cyclopropanecarbonyl)-8-fluoro-5-methyl-4,5-dihydro-6H-benzo[f]imidazo[1,5-a][1,4]diazepin-6-one
Show more names
T344333-(Cyclopropanecarbonyl)-8-fluoro-5-methyl-4,5-dihydro-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one
Database identifiers
- CAS
122321-07-7- PubChem CID
- 129697
- DTXSID
DTXSID10153571- Nikkaji
- J594.413I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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