Basic information
- CAS
82585-84-0- Standard SMILES
CCOC(=O)Nc1cc(NCC(=O)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c(N)n1- InChIKey
COEIQGWAMWNTHQ-UHFFFAOYSA-N- Molecular formula
- C17H16F3N5O5
- Average molar mass
- 427.3 g/mol
- Monoisotopic mass
- 427.11035311
Names & identifiers
- Preferred name
- Ethyl [6-amino-5-nitro-4-({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}amino)pyridin-2-yl]carbamate
- IUPAC
- ethyl N-[6-amino-5-nitro-4-[[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-pyridinyl]carbamate
Names & synonyms
82585-84-0NSC335423SCHEMBL13327920DTXSID30318761NSC-335423Ethyl [6-amino-5-nitro-4-({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}amino)pyridin-2-yl]carbamateethyl N-[6-amino-5-nitro-4-[[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-pyridyl]carbamate
Database identifiers
- CAS
82585-84-0- PubChem CID
- 333530
- DTXSID
DTXSID30318761
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 622
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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