Basic information
- Standard SMILES
O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2snc(-c3ccccc3)c2C(F)(F)F)C1- InChIKey
LWDLDXVVKDXBAK-UHFFFAOYSA-N- Molecular formula
- C26H20F3N3O3S
- Average molar mass
- 511.5 g/mol
Names & identifiers
- Preferred name
- 1-((3-(3-Phenyl-4-(trifluoromethyl)isothiazol-5-yl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yl)methyl)azetidine-3-carboxylic acid
- IUPAC
- 1-[[3-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]methyl]azetidine-3-carboxylic acid
Names & synonyms
CHEMBL47828541-((3-(3-phenyl-4-(trifluoromethyl)isothiazol-5-yl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yl)methyl)azetidine-3-carboxylic acidSCHEMBL1804192BDBM50550197
Database identifiers
- PubChem CID
- 67167161
- ChEMBL
CHEMBL4782854
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 807
Related reactions
1 records
Compound notes
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