Basic information
- Standard SMILES
CC1CN(c2c(C=O)cc(-c3cnc(N)cn3)c(F)c2F)CC(C)O1- InChIKey
JWYHPRKGCCWAAF-UHFFFAOYSA-N- Molecular formula
- C17H18F2N4O2
- Average molar mass
- 348.35 g/mol
- Monoisotopic mass
- 348.13978215
Names & identifiers
- Preferred name
- 5-(5-Amino-pyrazin-2-yl)-2-(2,6-dimethyl-morpholin-4-yl)-3,4-difluoro-benzaldehyde
- IUPAC
- 5-(5-aminopyrazin-2-yl)-2-(2,6-dimethylmorpholin-4-yl)-3,4-difluorobenzaldehyde
Names & synonyms
SCHEMBL4505544JWYHPRKGCCWAAF-UHFFFAOYSA-N5-(5-Amino-pyrazin-2-yl)-2-(2,6-dimethyl-morpholin-4-yl)-3,4-difluoro-benzaldehyde
Database identifiers
- PubChem CID
- 86614501
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 462
Related reactions
2 records
Compound notes
Loading…