10-(tert-butoxycarbonyl)-13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid
Basic information
- Standard SMILES
COc1ccc2c(c1)C=C(C(=O)O)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)OC(C)(C)C)cc21- InChIKey
FLETVZWFJJXPMV-UHFFFAOYSA-N- Molecular formula
- C30H33NO5
- Average molar mass
- 487.6 g/mol
Names & identifiers
- Preferred name
- 10-(tert-butoxycarbonyl)-13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid
- IUPAC
- 13-cyclohexyl-3-methoxy-10-[(2-methylpropan-2-yl)oxycarbonyl]-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid
Names & synonyms
SCHEMBL51368FLETVZWFJJXPMV-UHFFFAOYSA-N10-(tert-butoxycarbonyl)-13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid
Database identifiers
- PubChem CID
- 57712202
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 856
Related reactions
11 records
Compound notes
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