Basic information
- Standard SMILES
COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)cc1NC(=O)Nc1cnccn1- InChIKey
CGPDOUXGXQIWQD-ZDUSSCGKSA-N- Molecular formula
- C19H19F3N6O4
- Average molar mass
- 452.4 g/mol
- Monoisotopic mass
- 452.14198759
Names & identifiers
- Preferred name
- (S)-1-(2,2,2-trifluoroethanoyl)-pyrrolidine-2-carboxylic acid [4-methoxy-3-(3-pyrazin-2-yl-ureido)-phenyl]-amide
- IUPAC
- (2S)-N-[4-methoxy-3-(pyrazin-2-ylcarbamoylamino)phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
Names & synonyms
(S)-1-(2,2,2-trifluoroethanoyl)-pyrrolidine-2-carboxylic acid [4-methoxy-3-(3-pyrazin-2-yl-ureido)-phenyl]-amideSCHEMBL2031921(S)-1-(2,2,2-trifluoro-ethanoyl)-pyrrolidine-2-carboxylic acid [4-methoxy-3-(3-pyrazin-2-yl-ureido)-phenyl]-amide(S)-1-(2,2,2-trifluoroethanoyl)pyrrolidine-2-carboxylic acid [4-methoxy-3-(3-pyrazin-2-yl-ureido)phenyl]-amide
Database identifiers
- PubChem CID
- 86587622
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 694
Related reactions
4 records
Compound notes
Loading…