Basic information
- Standard SMILES
C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=C)c1cccc(F)c1F)Cc1ccc(OC)cc1OC- InChIKey
LGVPNHWAFLYBHN-HHHXNRCGSA-N- Molecular formula
- C31H32F2N2O5
- Average molar mass
- 550.6 g/mol
Names & identifiers
- Preferred name
- Benzyl (1R)-1-{[[2-(2,3-difluorophenyl)prop-2-enyl](2,4-dimethoxybenzyl)amino]carbonyl]but-3-enylcarbamate
- IUPAC
- benzyl N-[(2R)-1-[2-(2,3-difluorophenyl)prop-2-enyl-[(2,4-dimethoxyphenyl)methyl]amino]-1-oxopent-4-en-2-yl]carbamate
Names & synonyms
Benzyl (1R)-1-{[[2-(2,3-difluorophenyl)prop-2-enyl](2,4-dimethoxybenzyl)amino]carbonyl]but-3-enylcarbamateBenzyl (1R)-1-{[[2-(2,3-difluorophenyl)prop-2-enyl](2,4-dimethoxybenzyl)amino]carbonyl}but-3-enylcarbamatebenzyl (1R)-1-{{[2-(2,3-difluorophenyl)prop-2-enyl](2,4-dimethoxybenzyl)amino]carbonyl}but-3-enylcarbamateSCHEMBL30163341LGVPNHWAFLYBHN-HHHXNRCGSA-N
Database identifiers
- PubChem CID
- 86595035
Properties
Computed structural properties
- 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
Related reactions
20 records
Linked notes
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