(Z)-2-isopropoxy-3-[4-methoxy-3-({[4-(trifluoromethyl)benzyl]amino}carbonyl)phenyl]-2-propenoic acid
Basic information
- Standard SMILES
COc1ccc(/C=C(\OC(C)C)C(=O)O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1- InChIKey
GATVNTDZBIWLQA-ODLFYWEKSA-N- Molecular formula
- C22H22F3NO5
- Average molar mass
- 437.4 g/mol
Names & identifiers
- Preferred name
- (Z)-2-isopropoxy-3-[4-methoxy-3-({[4-(trifluoromethyl)benzyl]amino}carbonyl)phenyl]-2-propenoic acid
- IUPAC
- (Z)-3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-propan-2-yloxyprop-2-enoic acid
Names & synonyms
(Z)-2-isopropoxy-3-[4-methoxy-3-({[4-(trifluoromethyl)benzyl]amino}carbonyl)phenyl]-2-propenoic acidSCHEMBL6501421
Database identifiers
- PubChem CID
- 22493906
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 642
Related reactions
1 records
Compound notes
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