2-[[4-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-6-nitrobenzo[de]isoquinoline-1,3-dione
Basic information
- CAS
5475-79-6- Standard SMILES
COc1cc(C=NN2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)ccc1OCC(=O)N1CC(C)OC(C)C1- InChIKey
UMSSVXHOAGRPJW-UHFFFAOYSA-N- Molecular formula
- C28H26N4O8
- Average molar mass
- 546.5 g/mol
- Monoisotopic mass
- 546.1750638
Names & identifiers
- Preferred name
- 2-[[4-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-6-nitrobenzo[de]isoquinoline-1,3-dione
- IUPAC
- 2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-6-nitrobenzo[de]isoquinoline-1,3-dione
Names & synonyms
5475-79-6DTXSID20970074AKOS0306574772-[({4-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl}methylidene)amino]-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Database identifiers
- CAS
5475-79-6- PubChem CID
- 5221791
- DTXSID
DTXSID20970074
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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