2-[3-[13-[3-(1,3-Dioxoisoindol-2-yl)propyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]propyl]isoindole-1,3-dione
Basic information
- CAS
77900-45-9- Standard SMILES
O=C1c2ccccc2C(=O)N1CCCN1CCOCCOCCN(CCCN2C(=O)c3ccccc3C2=O)CCOCC1- InChIKey
NIYMOQVARIIMHI-UHFFFAOYSA-N- Molecular formula
- C32H40N4O7
- Average molar mass
- 592.7 g/mol
- Monoisotopic mass
- 592.28969963
Names & identifiers
- Preferred name
- 2-[3-[13-[3-(1,3-Dioxoisoindol-2-yl)propyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]propyl]isoindole-1,3-dione
- IUPAC
- 2-[3-[13-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]propyl]isoindole-1,3-dione
Names & synonyms
77900-45-92-[3-[13-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]propyl]isoindole-1,3-dioneNSC353102DTXSID70319974NSC-3531022,2'-[1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diyldi(propane-3,1-diyl)]di(1H-isoindole-1,3(2H)-dione)
Database identifiers
- CAS
77900-45-9- PubChem CID
- 336916
- DTXSID
DTXSID70319974
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 842
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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