Basic information
- Standard SMILES
Cc1n[nH]c(C)c1CC(=O)N[C@@H](COCc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1- InChIKey
GLDOVRLPTXIGDQ-MHZLTWQESA-N- Molecular formula
- C29H28F2N4O4
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.20786171
Names & identifiers
- Preferred name
- (S)-2-(2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamido)-3-(4-fluorobenzyloxy)-N-(4-(4-fluorophenoxy)phenyl)propanamide
- IUPAC
- (2S)-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-N-[4-(4-fluorophenoxy)phenyl]-3-[(4-fluorophenyl)methoxy]propanamide
Names & synonyms
SCHEMBL1371933GLDOVRLPTXIGDQ-MHZLTWQESA-N(S)-2-(2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamido)-3-(4-fluorobenzyloxy)-N-(4-(4-fluorophenoxy)phenyl)propanamide
Database identifiers
- PubChem CID
- 67009259
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 768
Related reactions
1 records
Compound notes
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