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Basic information
- Standard SMILES
Cc1ccc(Nc2nccc(N(C)c3ccc4c(c3)nc(N(C(=O)OC(C)(C)C)c3ccccc3)n4C)n2)cc1S(N)(=O)=O.Cl- InChIKey
IKBLXAOEJPSCDO-UHFFFAOYSA-N- Molecular formula
- C31H35ClN8O4S
- Average molar mass
- 651.2 g/mol
- Monoisotopic mass
- 650.2190505
Names & identifiers
- Preferred name
- (1-Methyl-5-{methyl-[2-(4-methyl-3-sulfamoyl-phenylamino)-pyrimidin-4-yl]-amino}-1H-benzoimidazol-2-yl)-phenyl-carbamic acid tert-butyl ester hydrochloride
- IUPAC
- tert-butyl N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]-N-phenylcarbamate;hydrochloride
Names & synonyms
SCHEMBL4984127IKBLXAOEJPSCDO-UHFFFAOYSA-N(1-Methyl-5-{methyl-[2-(4-methyl-3-sulfamoyl-phenylamino)-pyrimidin-4-yl]-amino}-1H-benzoimidazol-2-yl)-phenyl-carbamic acid tert-butyl ester hydrochloride
Database identifiers
- PubChem CID
- 10312490
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
1 records
Compound notes
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