Basic information
- Standard SMILES
CC(C)OP(=O)(Cc1cccc(Nc2ncc(C(F)(F)F)c(NCc3cccnc3N(C)S(C)(=O)=O)n2)c1)OC(C)C.O=C(O)C(F)(F)F- InChIKey
MCBSFTHHWYEQAR-UHFFFAOYSA-N- Molecular formula
- C28H35F6N6O7PS
- Average molar mass
- 744.6 g/mol
Names & identifiers
- Preferred name
- Dipropan-2-yl [3-({4-[({2-[methyl (methylsulfonyl)amino]pyridin-3-yl}methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino)benzyl]phosphonate trifluoroacetate
- IUPAC
- N-[3-[[[2-[3-[di(propan-2-yloxy)phosphorylmethyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid
Names & synonyms
dipropan-2-yl [3-({4-[({2-[methyl (methylsulfonyl)amino]pyridin-3-yl}methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino)benzyl]phosphonate trifluoroacetateSCHEMBL2034100dipropan-2-yl[3-({4-[({2-[methyl(methylsulfonyl)amino]pyridin-3-yl}methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino)benzyl]phosphonate trifluoroacetate
Database identifiers
- PubChem CID
- 86654005
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 13
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
2 records
Compound notes
Loading…