Basic information
- Standard SMILES
CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccc(F)cc2)c(=O)n3Cc2c(F)cccc2F)cc1- InChIKey
KATBEIQNGRPXHI-UHFFFAOYSA-N- Molecular formula
- C36H30F3N5O4S
- Average molar mass
- 685.7 g/mol
Names & identifiers
- Preferred name
- N-(4-(5-((benzyl(methyl)amino)methyl)-1-(2,6-difluorobenzyl)-2,4-dioxo-3-(4-fluorophenyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea
- IUPAC
- 1-[4-[5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-3-(4-fluorophenyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
Names & synonyms
SCHEMBL782109KATBEIQNGRPXHI-UHFFFAOYSA-NN-(4-(5-((benzyl(methyl)amino)methyl)-1-(2,6-difluorobenzyl)-2,4-dioxo-3-(4-fluorophenyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea
Database identifiers
- PubChem CID
- 59000925
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
4 records
Compound notes
Loading…