3-Acetyl-1-(3-chlorophenyl)-7,8-dimethoxy-4-methyl-3H-2,3-benzodiazepine
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Basic information
- CAS
90140-68-4- Standard SMILES
COc1cc2c(cc1OC)C(c1cccc(Cl)c1)=NN(C(C)=O)C(C)=C2- InChIKey
FOXBBSQOPUCTGD-UHFFFAOYSA-N- Molecular formula
- C20H19ClN2O3
- Average molar mass
- 370.8 g/mol
- Monoisotopic mass
- 370.1084202
Names & identifiers
- Preferred name
- 3-Acetyl-1-(3-chlorophenyl)-7,8-dimethoxy-4-methyl-3H-2,3-benzodiazepine
- IUPAC
- 1-[1-(3-chlorophenyl)-7,8-dimethoxy-4-methyl-2,3-benzodiazepin-3-yl]ethanone
- English name
- 3-Acetyl-1-(3-chlorophenyl)-7,8-dimethoxy-4-methyl-3H-2,3-benzodiazepi ne
- Molecular weight
- 0
Names & synonyms
90140-68-43-Acetyl-1-(3-chlorophenyl)-7,8-dimethoxy-4-methyl-3H-2,3-benzodiazepineDTXSID00348090FOXBBSQOPUCTGD-UHFFFAOYSA-N1-[1-(3-chlorophenyl)-7,8-dimethoxy-4-methyl-2,3-benzodiazepin-3-yl]ethanone1-[1-(3-Chlorophenyl)-7,8-dimethoxy-4-methyl-3H-2,3-benzodiazepin-3-yl]ethan-1-one3H-2,3-Benzodiazepine, 3-acetyl-1-(3-chlorophenyl)-7,8-dimethoxy-4-methyl-3-Acetyl-1-(3-chlorophenyl)-7,8-dimethoxy-4-methyl-3H-2,3-benzodiazepi ne
Database identifiers
- CAS
90140-68-4- PubChem CID
- 630103
- DTXSID
DTXSID00348090
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 592
Related reactions
0 records
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Compound notes
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