Basic information
- Standard SMILES
CS(=O)(=O)c1cccc(-c2ccc3nc(NCc4cccc(S(N)(=O)=O)c4)nc(NCC(F)(F)F)c3n2)c1- InChIKey
KHRVULDLZHQOEL-UHFFFAOYSA-N- Molecular formula
- C23H21F3N6O4S2
- Average molar mass
- 566.6 g/mol
Names & identifiers
- Preferred name
- 3-{[6-(3-Methanesulfonyl-phenyl)-4-(2,2,2-trifluoro-ethylamino)-pyrido[3,2-d]pyrimidin-2-ylamino]-methyl}-benzenesulfonamide
- IUPAC
- 3-[[[6-(3-methylsulfonylphenyl)-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
Names & synonyms
3-{[6-(3-Methanesulfonyl-phenyl)-4-(2,2,2-trifluoro-ethylamino)-pyrido[3,2-d]pyrimidin-2-ylamino]-methyl}-benzenesulfonamideSCHEMBL1789209
Database identifiers
- PubChem CID
- 44622705
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
2 records
Compound notes
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