Basic information
- Standard SMILES
CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)C2CCCC3S2(=O)=O)ncc1C(F)(F)F)S(C)(=O)=O- InChIKey
BIVTVBSQOQASIQ-UHFFFAOYSA-N- Molecular formula
- C24H25F3N6O4S2
- Average molar mass
- 582.6 g/mol
- Monoisotopic mass
- 582.13308013
Names & identifiers
- Preferred name
- (+/-) N-(3-{[2-(12,12-Dioxo-12lambda6-thia-tricyclo[6.3.1.02.7]dodeca-2(7),3,5-trien-4-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-N-methyl-methanesulfonamide
- IUPAC
- N-[3-[[[2-[(12,12-dioxo-12lambda6-thiatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
Names & synonyms
(+/-) N-(3-{[2-(12,12-Dioxo-12lambda6-thia-tricyclo[6.3.1.02.7]dodeca-2(7),3,5-trien-4-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-N-methyl-methanesulfonamideSCHEMBL3574983
Database identifiers
- PubChem CID
- 59518908
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
1 records
Compound notes
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