Diethyl (((3-(2,6-dimethyl-4-pyridinyl)-4-fluorophenyl)amino)methylene)propanedioate
Basic information
- CAS
104431-74-5- Standard SMILES
CCOC(=O)C(=CNc1ccc(F)c(-c2cc(C)nc(C)c2)c1)C(=O)OCC- InChIKey
KYUNYRAKHOBJNA-UHFFFAOYSA-N- Molecular formula
- C21H23FN2O4
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.16418538
Overview
inhibitor of androgen binding to rat androgen binding protein; RN and structure given in first source
Names & identifiers
- Preferred name
- Diethyl (((3-(2,6-dimethyl-4-pyridinyl)-4-fluorophenyl)amino)methylene)propanedioate
- IUPAC
- diethyl 2-[[3-(2,6-dimethyl-4-pyridinyl)-4-fluoroanilino]methylidene]propanedioate
- English name
- Diethyl (((3-(2,6-dimethyl-4-pyridinyl)-4-fluorophenyl)amino)methylene )propanedioate
- Molecular weight
- 0
Names & synonyms
104431-74-5Diethyl (((3-(2,6-dimethyl-4-pyridinyl)-4-fluorophenyl)amino)methylene)propanedioateDTXSID10146488RefChem:133363DTXCID2068979DdpfampDiethyl 2-[[[3-(2,6-Dimethylpyridin-4-yl-4-Fluorophenyl]Amino]Methylidene]PropanedioateCHEMBL286039SCHEMBL10727202Diethyl {[3-(2,6-dimethylpyridin-4-yl)-4-fluoroanilino]methylidene}propanedioateDiethyl 2-[[[3-(2,6-Dimethylpyridin-4-Yl)-4-Fluorophenyl]Amino]Methylidene]PropanedioateDiethyl (((3-(2,6-dimethyl-4-pyridinyl)-4-fluorophenyl)amino)methylene )propanedioate
Database identifiers
- CAS
104431-74-5- PubChem CID
- 128574
- DTXSID
DTXSID10146488- ChEMBL
CHEMBL286039- Nikkaji
- J264.415K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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