3-Bromo-4-butoxy-N-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]benzamide
Basic information
- CAS
881593-97-1- Standard SMILES
CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1Br- InChIKey
DFQZNHFVEMHJNO-UHFFFAOYSA-N- Molecular formula
- C24H26BrN5O4S2
- Average molar mass
- 592.5 g/mol
- Monoisotopic mass
- 591.06096
Names & identifiers
- Preferred name
- 3-Bromo-4-butoxy-N-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]benzamide
- IUPAC
- 3-bromo-4-butoxy-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
Names & synonyms
DTXSID101111396AKOS0034683043-Bromo-4-butoxy-N-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]benzamide881593-97-1
Database identifiers
- CAS
881593-97-1- PubChem CID
- 4956038
- DTXSID
DTXSID101111396
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 825
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Compound notes
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