Basic information
- Standard SMILES
Cl.NC[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)N(C(=O)Cn2cncn2)C1- InChIKey
ZWDUISHOKCQVDG-QNNMEKCMSA-N- Molecular formula
- C22H24ClFN6O3
- Average molar mass
- 474.9 g/mol
- Monoisotopic mass
- 474.1582445
Names & identifiers
- Preferred name
- (2S,4S)-1-(2-(1H-1,2,4-triazol-1-yl)acetyl)-4-aminomethyl-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide hydrochloride salt
- IUPAC
- (2S,4S)-4-(aminomethyl)-N-[4-(4-fluorophenoxy)phenyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-2-carboxamide;hydrochloride
Names & synonyms
SCHEMBL1373978ZWDUISHOKCQVDG-QNNMEKCMSA-N(2S,4S)-1-(2-(1H-1,2,4-triazol-1-yl)acetyl)-4-aminomethyl-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide hydrochloride salt
Database identifiers
- PubChem CID
- 67010106
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 639
Related reactions
2 records
Compound notes
Loading…