ethyl N-[4-(benzhydrylamino)-6-[[(2E)-2-(carbamoylhydrazinylidene)propyl]amino]-5-nitro-2-pyridinyl]carbamate
Basic information
- CAS
6502-05-2- Standard SMILES
CCOC(=O)Nc1cc(NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(NC/C(C)=N/NC(N)=O)n1- InChIKey
HDNJZIUSDYFTPJ-WCMJOSRZSA-N- Molecular formula
- C25H28N8O5
- Average molar mass
- 520.5 g/mol
- Monoisotopic mass
- 520.21826602
Names & identifiers
- Preferred name
- ethyl N-[4-(benzhydrylamino)-6-[[(2E)-2-(carbamoylhydrazinylidene)propyl]amino]-5-nitro-2-pyridinyl]carbamate
- IUPAC
- ethyl N-[4-(benzhydrylamino)-6-[[(2E)-2-(carbamoylhydrazinylidene)propyl]amino]-5-nitro-2-pyridinyl]carbamate
Names & synonyms
NSC95453SCHEMBL133427776502-05-2NSC-95453
Database identifiers
- CAS
6502-05-2- PubChem CID
- 9568342
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 792
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Related reactions
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Compound notes
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