Basic information
- Standard SMILES
CCOC(=O)C1(CCN2C(=O)c3ccccc3C2=O)CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O- InChIKey
NHCBHPDKHRSDRM-UHFFFAOYSA-N- Molecular formula
- C30H28N2O7S
- Average molar mass
- 560.6 g/mol
Names & identifiers
- Preferred name
- 4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-5-oxo-1-(toluene-4-sulfonyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1-benzazepine-4-carboxylate
Names & synonyms
SCHEMBL2571925NHCBHPDKHRSDRM-UHFFFAOYSA-N4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-5-oxo-1-(toluene-4-sulfonyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 59550583
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
3 records
Compound notes
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