Basic information
- Standard SMILES
CCSc1ncc(C(=O)c2c(F)ccc(OC)c2F)c(N)n1- InChIKey
VQMGNERSJSNZNI-UHFFFAOYSA-N- Molecular formula
- C14H13F2N3O2S
- Average molar mass
- 325.34 g/mol
Names & identifiers
- Preferred name
- (4-Amino-2-ethylsulfanyl-pyrimidin-5-yl)-(2,6-difluoro-3-methoxy-phenyl)-methanone
- IUPAC
- (4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2,6-difluoro-3-methoxyphenyl)methanone
Names & synonyms
SCHEMBL4361299VQMGNERSJSNZNI-UHFFFAOYSA-N(4-amino-2-ethylsulfanyl-pyrimidin-5-yl)-(2,6-difluoro-3-methoxy-phenyl)-methanone
Database identifiers
- PubChem CID
- 21070573
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
2 records
Compound notes
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