Basic information
- Standard SMILES
C[C@H](Nc1c(F)cc([N+](=O)[O-])c(Nc2cc(C3CC3)[nH]n2)c1F)c1ccc(F)cc1- InChIKey
RSCLFSOLJBZIHF-JTQLQIEISA-N- Molecular formula
- C20H18F3N5O2
- Average molar mass
- 417.4 g/mol
Names & identifiers
- Preferred name
- (S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2,4-difluoro-N3-(1-(4-fluorophenyl)ethyl)-6-nitrobenzene-1,3-diamine
- IUPAC
- 1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4-difluoro-3-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-nitrobenzene-1,3-diamine
Names & synonyms
SCHEMBL2634185RSCLFSOLJBZIHF-JTQLQIEISA-N(S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2,4-difluoro-N3-(1-(4-fluorophenyl)ethyl)-6-nitrobenzene-1,3-diamine(S)-N1-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4-difluoro-N3-(1-(4-fluorophenyl)ethyl)-6-nitrobenzene-1,3-diamine
Database identifiers
- PubChem CID
- 86621771
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 599
Related reactions
2 records
Compound notes
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