Basic information
- Standard SMILES
CCOC(=O)C(CCc1ccc2c(c1)CCc1c-2noc1-c1cnn(-c2ccccc2)c1C(F)(F)F)N=C(c1ccccc1)c1ccccc1- InChIKey
ZQTNCBBBQJRRNZ-UHFFFAOYSA-N- Molecular formula
- C40H33F3N4O3
- Average molar mass
- 674.7 g/mol
Names & identifiers
- Preferred name
- ethyl 2-(diphenylmethyleneamino)-4-(3-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yl)butanoate
- IUPAC
- ethyl 2-(benzhydrylideneamino)-4-[3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]butanoate
Names & synonyms
ethyl 2-(diphenylmethyleneamino)-4-(3-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yl)butanoateSCHEMBL1813420
Database identifiers
- PubChem CID
- 86669896
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
2 records
Compound notes
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