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Basic information
- Standard SMILES
COC(=O)C1=Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)OC)cc3n2C1- InChIKey
OMYLKUPQCDGZRN-UHFFFAOYSA-N- Molecular formula
- C27H27NO4
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.19400834
Names & identifiers
- Preferred name
- dimethyl 13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate
- IUPAC
- dimethyl 13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate
Names & synonyms
SCHEMBL1734178OMYLKUPQCDGZRN-UHFFFAOYSA-Ndimethyl 13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylateMethyl 13-cyclohexyl-6-(methoxycarbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
Database identifiers
- PubChem CID
- 11640545
- Nikkaji
- J3.290.795D
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 742
Related reactions
11 records
Compound notes
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