Basic information
- Standard SMILES
Cc1cn(CC(=O)N[C@@H](COCc2ccccc2)C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)nn1- InChIKey
AUBFSCZOOORUNY-VWLOTQADSA-N- Molecular formula
- C27H26FN5O4
- Average molar mass
- 503.5 g/mol
- Monoisotopic mass
- 503.19688249
Names & identifiers
- Preferred name
- (S)-3-(benzyloxy)-N-(4-(4-fluorophenoxy)phenyl)-2-(2-(4-methyl-1H-1,2,3-triazol-1-yl)acetamido)propanamide
- IUPAC
- (2S)-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(4-methyltriazol-1-yl)acetyl]amino]-3-phenylmethoxypropanamide
Names & synonyms
SCHEMBL1373816AUBFSCZOOORUNY-VWLOTQADSA-N(S)-3-(benzyloxy)-N-(4-(4-fluorophenoxy)phenyl)-2-(2-(4-methyl-1H-1,2,3-triazol-1-yl)acetamido)propanamide
Database identifiers
- PubChem CID
- 67010042
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 709
Related reactions
1 records
Compound notes
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