Basic information
- Standard SMILES
O=C(Cn1cncn1)N[C@@H](COCc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1- InChIKey
JXIHOGBFZGLADH-DEOSSOPVSA-N- Molecular formula
- C26H23F2N5O4
- Average molar mass
- 507.5 g/mol
- Monoisotopic mass
- 507.17181056
Names & identifiers
- Preferred name
- (S)-2-(2-(1H-1,2,4-triazol-1-yl)acetamido)-3-(4-fluorobenzyloxy)-N-(4-(4-fluorophenoxy)phenyl)propanamide
- IUPAC
- (2S)-N-[4-(4-fluorophenoxy)phenyl]-3-[(4-fluorophenyl)methoxy]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide
Names & synonyms
SCHEMBL1374025JXIHOGBFZGLADH-DEOSSOPVSA-N(S)-2-(2-(1H-1,2,4-triazol-1-yl)acetamido)-3-(4-fluorobenzyloxy)-N-(4-(4-fluorophenoxy)phenyl)propanamide
Database identifiers
- PubChem CID
- 67010133
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 711
Related reactions
1 records
Compound notes
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