ethyl 3-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-5-iodo-1H-indole-2-carboxylate
Basic information
- CAS
282103-13-3- Standard SMILES
CCOC(=O)c1[nH]c2ccc(I)cc2c1CCN1C(=O)c2ccccc2C1=O- InChIKey
UTQLPWUSJIGJHF-UHFFFAOYSA-N- Molecular formula
- C21H17IN2O4
- Average molar mass
- 488.3 g/mol
- Monoisotopic mass
- 488.0233
Names & identifiers
- Preferred name
- ethyl 3-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-5-iodo-1H-indole-2-carboxylate
- IUPAC
- ethyl 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5-iodo-1H-indole-2-carboxylate
Names & synonyms
ZINC1509169ZINC01509169Oprea1_171340282103-13-3DTXSID801124411MFCD00356014STK365307AKOS001586481ethyl 3-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-5-iodo-1H-indole-2-carboxylateZINC000001509169EU-0066807ST50863749
Show more names
SR-01000389769SR-01000389769-1CCOC(=O)c1(nH)c2c(c1CCN1C(=O)c3c(C1=O)cccc3)cc(cc2)Iethyl3(2(13dioxoisoindolin2yl)ethyl)5iodo1Hindole2carboxylateETHYL3(2(13DIOXOISOINDOL2YL)ETHYL)5IODO1HINDOLE2CARBOXYLATECCOC(=O)C1=C(C2=C(N1)C=CC(=C2)I)CCN3C(=O)C4=CC=CC=C4C3=Oethyl3(2(13dioxo13dihydro2Hisoindol2yl)ethyl)5iodo1Hindole2carboxylateETHYL3(2(13DIOXOBENZO(C)AZOLIDIN2YL)ETHYL)5IODOINDOLE2CARBOXYLATE
Database identifiers
- CAS
282103-13-3- PubChem CID
- 1548077
- DTXSID
DTXSID801124411
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 618
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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