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Home> Encyclopedia >   /  Antibiotic and antimicrobial agents  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceutical  /  Pharmaceuticals and Biochemicals
T6830049 structure
T6830049 structure

T6830049

CAS No.:1405-89-6
Molecular Weight:1488.10232
1. Names and Identifiers
1.1 Name
T6830049
1.2 Synonyms

MCULE-7521823629 MOLPORT-009-572-613 n-(3-cyanophenyl)-n-methyl-1-phenyl-1h-pyrazole-4-sulfonamide Z872304006 ZINC58296484

1.3 CAS No.
1405-89-6
1.4 Molecular Formula
C37H51NO12 (isomer)
2. Properties
3.1 Melting point
250℃ (dec.)
3. Safety and Handling
4.1 Safety Statements
S24/25
4.1 WGK Germany
3
4. Computational chemical data
  • Molecular Weight:1488.10232g/mol
  • Molecular Formula:C37H51NO12
  • Exact Mass:1485.678088
  • Monoisotopic Mass:1485.678088
  • Complexity:2950
  • Rotatable Bond Count:31
  • Hydrogen Bond Donor Count:16
  • Hydrogen Bond Acceptor Count:21
  • Topological Polar Surface Area:552
  • Heavy Atom Count:101
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:16
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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