Basic information
- Standard SMILES
O=C(NCCc1c[nH]c2ccc(-c3ccccc3)cc12)c1cc(Cc2cc(F)ccc2F)on1- InChIKey
KABJVOPHTHWTDB-UHFFFAOYSA-N- Molecular formula
- C27H21F2N3O2
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.16018325
Names & identifiers
- Preferred name
- 5-(2,5-difluorobenzyl)-N-(2-(5-phenyl-1H-indol-3-yl)ethyl)isoxazole-3-carboxamide
- IUPAC
- 5-[(2,5-difluorophenyl)methyl]-N-[2-(5-phenyl-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
Names & synonyms
SCHEMBL892641KABJVOPHTHWTDB-UHFFFAOYSA-N5-(2,5-difluorobenzyl)-N-(2-(5-phenyl-1H-indol-3-yl)ethyl)isoxazole-3-carboxamide
Database identifiers
- PubChem CID
- 66831997
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 676
Related reactions
3 records
Compound notes
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