Basic information
- Standard SMILES
O=C(Cn1cncn1)N[C@@H](COCc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1- InChIKey
QHRNJZLCDKJUMM-QHCPKHFHSA-N- Molecular formula
- C27H23F4N5O5
- Average molar mass
- 573.5 g/mol
Names & identifiers
- Preferred name
- (S)-2-(2-(1H-1,2,4-triazol-1-yl)acetamido)-N-(4-(4-fluorophenoxy)phenyl)-3-(2-(trifluoromethoxy)benzyloxy)propanamide
- IUPAC
- (2S)-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]-3-[[2-(trifluoromethoxy)phenyl]methoxy]propanamide
Names & synonyms
(S)-2-(2-(1H-1,2,4-triazol-1-yl)acetamido)-N-(4-(4-fluorophenoxy)phenyl)-3-(2-(trifluoromethoxy)benzyloxy)propanamideSCHEMBL1375684
Database identifiers
- PubChem CID
- 67010649
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 824
Related reactions
1 records
Compound notes
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