Basic information
- CAS
61197-85-1- Standard SMILES
CCN=Cc1nc2n(c1O)-c1ccc(Cl)cc1C(c1ccccc1)=NC2- InChIKey
KFRUZPLBJFOJFZ-UHFFFAOYSA-N- Molecular formula
- C20H17ClN4O
- Average molar mass
- 364.8 g/mol
- Monoisotopic mass
- 364.1090889
Names & identifiers
- Preferred name
- 1H-Imidazo(1,2-a)(1,4)benzodiazepin-1-one, 2,4-dihydro-8-chloro-2-((ethylamino)methylene)-6-phenyl-
- IUPAC
- 8-chloro-2-(ethyliminomethyl)-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-ol
Names & synonyms
1H-Imidazo(1,2-a)(1,4)benzodiazepin-1-one, 2,4-dihydro-8-chloro-2-((ethylamino)methylene)-6-phenyl-61197-85-1CHEMBL3249331SCHEMBL11564992
Database identifiers
- CAS
61197-85-1- PubChem CID
- 3045863
- ChEMBL
CHEMBL3249331
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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