Basic information
- CAS
6054-59-7- Standard SMILES
CCOc1ccc(/C=N\NC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)cc1- InChIKey
NDLPLFDZCUHTRV-UUYOSTAYSA-N- Molecular formula
- C20H20BrN3O3
- Average molar mass
- 430.3 g/mol
- Monoisotopic mass
- 429.0688
Names & identifiers
- Preferred name
- Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate)
- IUPAC
- 1-(4-bromophenyl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
Names & synonyms
6054-59-7Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate)EINECS 227-968-91-(4-bromophenyl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamideNDLPLFDZCUHTRV-UUYOSTAYSA-NBIM-0042917.P001SR-01000226348SR-01000226348-1
Database identifiers
- CAS
6054-59-7- PubChem CID
- 5347183
- EC Number
- 227-968-9
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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