Basic information
- CAS
69353-35-1- Standard SMILES
COCN(C)C1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1- InChIKey
KQPFSYLHGSHACB-UHFFFAOYSA-N- Molecular formula
- C18H18ClN3O2
- Average molar mass
- 343.8 g/mol
- Monoisotopic mass
- 343.1087545
Names & identifiers
- Preferred name
- 3H-1,4-Benzodiazepine, 7-chloro-2-(N-methoxymethyl-N-methylamino)-5-phenyl-, 4-oxide
- IUPAC
- 7-chloro-N-(methoxymethyl)-N-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine
- English name
- 7-Chloro-2-(N-methoxymethyl-N-methylamino)-5-phenyl-3H-1,4-benzodiazepine 4-oxide
- Molecular formula
- C18H18ClN3O2
- Molecular weight
- 343.81
Names & synonyms
BRN 08955463H-1,4-Benzodiazepine, 7-chloro-2-(N-methoxymethyl-N-methylamino)-5-phenyl-, 4-oxide7-Chloro-2-(N-methoxymethyl-N-methylamino)-5-phenyl-3H-1,4-benzodiazepine 4-oxide69353-35-1DTXSID002194335-25-11-00430 (Beilstein Handbook Reference)RefChem:283042DTXCID201419247-Chloro-N-(methoxymethyl)-N-methyl-4-oxo-5-phenyl-3H-1,4lambda~5~-benzodiazepin-2-amine3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-(methoxymethyl)-N-methyl-5-phenyl-, 4-oxide
Database identifiers
- CAS
69353-35-1- PubChem CID
- 50432
- DTXSID
DTXSID00219433- Nikkaji
- J69.299I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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