2-(N-(4-((4-(heptyloxy)benzoyl)oxy)benzyl)-4-(2-(4-methoxy-2-(trifluoromethyl)phenyl)acetamido)benzamido)acetic acid
Basic information
- Standard SMILES
CCCCCCCOc1ccc(C(=O)Oc2ccc(CN(CC(=O)O)C(=O)c3ccc(NC(=O)Cc4ccc(OC)cc4C(F)(F)F)cc3)cc2)cc1- InChIKey
ORCLIPKOAYOONY-UHFFFAOYSA-N- Molecular formula
- C40H41F3N2O8
- Average molar mass
- 734.8 g/mol
Names & identifiers
- Preferred name
- 2-(N-(4-((4-(heptyloxy)benzoyl)oxy)benzyl)-4-(2-(4-methoxy-2-(trifluoromethyl)phenyl)acetamido)benzamido)acetic acid
- IUPAC
- 2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid
Names & synonyms
2-(N-(4-((4-(heptyloxy)benzoyl)oxy)benzyl)-4-(2-(4-methoxy-2-(trifluoromethyl)phenyl)acetamido)benzamido)acetic acidSCHEMBL14238421
Database identifiers
- PubChem CID
- 71489082
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 19
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,150
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Related reactions
1 records
Compound notes
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