Basic information
- Standard SMILES
Cn1cnc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c1-c1cc2c(N)ncnc2s1- InChIKey
GPABOFFVUUNFFH-UHFFFAOYSA-N- Molecular formula
- C24H17F4N7OS
- Average molar mass
- 527.5 g/mol
Names & identifiers
- Preferred name
- N-{4-[5-(4-Aminothieno[2,3-d]pyrimidin-6-yl)-1-methyl-1H-imidazol-4-yl]phenyl}-N'-[2-fluoro-5-(trifluoromethyl)phenyl]urea
- IUPAC
- 1-[4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
Names & synonyms
N-{4-[5-(4-Aminothieno[2,3-d]pyrimidin-6-yl)-1-methyl-1H-imidazol-4-yl]phenyl}-N'-[2-fluoro-5-(trifluoromethyl)phenyl]ureaSCHEMBL4801912
Database identifiers
- PubChem CID
- 10482015
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 802
Related reactions
2 records
Compound notes
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