Pyrimido(6,1-a)(2)benzazepin-4(3H)-one, 2,6,7,8-tetrahydro-10,11-dimethoxy-3,8-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-
Basic information
- CAS
108446-07-7- Standard SMILES
COc1cc2c(cc1OC)C(C)CCn1c-2cc(=Nc2c(C)cc(C)cc2C)n(C)c1=O.Cl- InChIKey
ORVQPDQDYZJROE-UHFFFAOYSA-N- Molecular formula
- C26H32ClN3O3
- Average molar mass
- 470 g/mol
- Monoisotopic mass
- 469.2132196
Names & identifiers
- Preferred name
- Pyrimido(6,1-a)(2)benzazepin-4(3H)-one, 2,6,7,8-tetrahydro-10,11-dimethoxy-3,8-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-
- IUPAC
- 10,11-dimethoxy-3,8-dimethyl-2-(2,4,6-trimethylphenyl)imino-7,8-dihydro-6H-pyrimido[6,1-a][2]benzazepin-4-one;hydrochloride
Names & synonyms
108446-07-7Pyrimido(6,1-a)(2)benzazepin-4(3H)-one, 2,6,7,8-tetrahydro-10,11-dimethoxy-3,8-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-
Database identifiers
- CAS
108446-07-7- PubChem CID
- 3065629
Properties
Computed structural properties
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 753
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Compound notes
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