1-[1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-2,3-benzodiazepin-3-yl]ethanone
Basic information
- CAS
90140-50-4- Standard SMILES
CCC1=C(C)N(C(C)=O)N=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21- InChIKey
CLJPSMAKAGRZBN-UHFFFAOYSA-N- Molecular formula
- C24H28N2O5
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.199822
Names & identifiers
- Preferred name
- 1-[1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-2,3-benzodiazepin-3-yl]ethanone
- IUPAC
- 1-[1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-2,3-benzodiazepin-3-yl]ethanone
Names & synonyms
90140-50-4NSC3825851-[1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-2,3-benzodiazepin-3-yl]ethanoneCHEMBL1972761DTXSID60321869NSC-382585NCI60_0036571-[1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-3H-2,3-benzodiazepin-3-yl]ethan-1-one
Database identifiers
- CAS
90140-50-4- PubChem CID
- 343249
- DTXSID
DTXSID60321869- ChEMBL
CHEMBL1972761
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 706
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Compound notes
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