Basic information
- CAS
138349-43-6- Standard SMILES
COc1ccc2c(c1)c(C)c(NC(=O)CCCCCCN1C(=O)c3ccccc3C1=O)n2-c1ccc([N+](=O)[O-])cc1- InChIKey
NJSQTKAMJZJNKD-UHFFFAOYSA-N- Molecular formula
- C31H30N4O6
- Average molar mass
- 554.6 g/mol
- Monoisotopic mass
- 554.21653469
Names & identifiers
- Preferred name
- 2H-Isoindole-2-heptanamide, 1,3-dihydro-1,3-dioxo-N-(5-methoxy-3-methyl-1-(4-nitrophenyl)-1H-indol-2-yl)-
- IUPAC
- 7-(1,3-dioxoisoindol-2-yl)-N-[5-methoxy-3-methyl-1-(4-nitrophenyl)indol-2-yl]heptanamide
Names & synonyms
BRN 54676442H-Isoindole-2-heptanamide, 1,3-dihydro-1,3-dioxo-N-(5-methoxy-3-methyl-1-(4-nitrophenyl)-1H-indol-2-yl)-138349-43-6DTXSID30160626RefChem:268757DTXCID60831177-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[5-methoxy-3-methyl-1-(4-nitrophenyl)-1H-indol-2-yl]heptanamide
Database identifiers
- CAS
138349-43-6- PubChem CID
- 3071685
- DTXSID
DTXSID30160626- Nikkaji
- J440.287A
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 939
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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