benzyl N-[1-[2-(2,3-difluorophenyl)prop-2-enyl-[(2,4-dimethoxyphenyl)methyl]amino]-1-oxopent-4-en-2-yl]carbamate
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Basic information
- Standard SMILES
C=CCC(NC(=O)OCc1ccccc1)C(=O)N(CC(=C)c1cccc(F)c1F)Cc1ccc(OC)cc1OC- InChIKey
LGVPNHWAFLYBHN-UHFFFAOYSA-N- Molecular formula
- C31H32F2N2O5
- Average molar mass
- 550.6 g/mol
- Monoisotopic mass
- 550.22792845
Names & identifiers
- Preferred name
- benzyl N-[1-[2-(2,3-difluorophenyl)prop-2-enyl-[(2,4-dimethoxyphenyl)methyl]amino]-1-oxopent-4-en-2-yl]carbamate
- IUPAC
- benzyl N-[1-[2-(2,3-difluorophenyl)prop-2-enyl-[(2,4-dimethoxyphenyl)methyl]amino]-1-oxopent-4-en-2-yl]carbamate
Database identifiers
- PubChem CID
- 102475243
- Nikkaji
- J2.625.409D
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 837
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Related reactions
2 records
Compound notes
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