Basic information
- Standard SMILES
CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCc2nc(C(F)(F)F)ncc2C1- InChIKey
RQEQANHVNULKFV-UHFFFAOYSA-N- Molecular formula
- C19H20F3N3O4S
- Average molar mass
- 443.4 g/mol
Names & identifiers
- Preferred name
- (5-methylsulfonyl-2-propan-2-yloxyphenyl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
- IUPAC
- (5-methylsulfonyl-2-propan-2-yloxyphenyl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
Names & synonyms
SCHEMBL3875974RQEQANHVNULKFV-UHFFFAOYSA-N(5-methylsulfonyl-2-propan-2-yloxyphenyl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
Database identifiers
- PubChem CID
- 57445253
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 726
Related reactions
1 records
Compound notes
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