Basic information
- CAS
61197-55-5- Standard SMILES
CN1CCN(/C=C2/N=C3CN=C(c4ccccc4Cl)c4cc(Cl)ccc4N3C2=O)CC1- InChIKey
RILKOHQJWBBGCZ-XMHGGMMESA-N- Molecular formula
- C23H21Cl2N5O
- Average molar mass
- 454.3 g/mol
- Monoisotopic mass
- 453.1123157
Names & identifiers
- Preferred name
- 1H-Imidazo(1,2-a)(1,4)benzodiazepin-1-one, 2,4-dihydro-8-chloro-6-(2-chlorophenyl)-2-((4-methyl-1-piperazinyl)methylene)-
- IUPAC
- (2E)-8-chloro-6-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methylidene]-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one
Names & synonyms
1H-Imidazo(1,2-a)(1,4)benzodiazepin-1-one, 2,4-dihydro-8-chloro-6-(2-chlorophenyl)-2-((4-methyl-1-piperazinyl)methylene)-61197-55-5RefChem:1057893
Database identifiers
- CAS
61197-55-5- PubChem CID
- 3045839
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 804
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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