Unii-9tvu6uuo09
Basic information
- CAS
330861-59-1- Standard SMILES
COc1ccc(CC(=O)O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1- InChIKey
CVLDONNYRQMBOV-UHFFFAOYSA-N- Molecular formula
- C18H16F3NO4
- Average molar mass
- 367.3 g/mol
Names & identifiers
- Preferred name
- Unii-9tvu6uuo09
- IUPAC
- 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]acetic acid
Names & synonyms
UNII-9TVU6UUO09MK 767 metabolite M139TVU6UUO094-Methoxy-3-((((4-(trifluoromethyl)phenyl)methyl)amino)carbonyl)benzeneacetic acidBenzeneacetic acid, 4-methoxy-3-((((4-(trifluoromethyl)phenyl)methyl)amino)carbonyl)-330861-59-1CHEMBL120574SCHEMBL59740974-Methoxy-3-[N-(4-trifluoromethylbenzyl)]carbamoylphenylacetic acid
Database identifiers
- CAS
330861-59-1- PubChem CID
- 9799335
- ChEMBL
CHEMBL120574- UNII
- 9TVU6UUO09
- Nikkaji
- J1.668.182B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 489
Related reactions
2 records
Compound notes
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