[5-[(2,2-Dichloroacetyl)amino]-2,4-bis[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]diazenyl]naphthalen-1-yl] 2,2-dichloroacetate
Basic information
- CAS
67935-93-7- Standard SMILES
Cc1noc(NS(=O)(=O)c2ccc(N=Nc3cc(N=Nc4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3OC(=O)C(Cl)Cl)cc2)c1C- InChIKey
OPNGCYBHSAUFRE-UHFFFAOYSA-N- Molecular formula
- C36H29Cl4N9O9S2
- Average molar mass
- 937.6 g/mol
- Monoisotopic mass
- 935.028377
Names & identifiers
- Preferred name
- [5-[(2,2-Dichloroacetyl)amino]-2,4-bis[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]diazenyl]naphthalen-1-yl] 2,2-dichloroacetate
- IUPAC
- [5-[(2,2-dichloroacetyl)amino]-2,4-bis[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]diazenyl]naphthalen-1-yl] 2,2-dichloroacetate
Names & synonyms
NSC30639267935-93-7CHEMBL4102770NSC-306392[5-[(2,2-dichloroacetyl)amino]-2,4-bis[(E)-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]azo]-1-naphthyl] 2,2-dichloroacetate5-[(Dichloroacetyl)amino]-2,4-bis[(E)-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)diazenyl]-1-naphthyl dichloroacetate
Database identifiers
- CAS
67935-93-7- PubChem CID
- 328255
- ChEMBL
CHEMBL4102770
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 266 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 15
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,760
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Compound notes
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