N-(3-{5-[(4-Bromo-2-Fluorophenyl)Amino]-3-Cyclopropyl-8-Methyl-2,4,7-Trioxo-3,4,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-1(2H)-Yl}Phenyl)Methanesulfonamide

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Properties Simple | Detailed

Formula C24H21BrFN5O5S
IUPAC Name n-[3-[5-(4-bromo-2-fluoro-anilino)-3-cyclopropyl-8-methyl-2,4,7-trioxo-pyrido[2,3-d]pyrimidin-1-yl]phenyl]methanesulfonamide
Molecular Mass 590.421 g·mol−1
Heat of Formation -635.7 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 579.83 Å 3
Surface Area 488.8 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • n-[3-[5-[(4-bromo-2-fluoro-phenyl)amino]-3-cyclopropyl-2,4,7-triketo-8-methyl-pyrido[3,2-e]pyrimidin-1-yl]phenyl]methanesulfonamide
  • n-[3-[5-[(4-bromo-2-fluoro-phenyl)amino]-3-cyclopropyl-8-methyl-2,4,7-trioxo-pyrido[3,2-e]pyrimidin-1-yl]phenyl]methanesulfonamide
  • n-[3-[5-[(4-bromo-2-fluorophenyl)amino]-3-cyclopropyl-8-methyl-2,4,7-trioxo-1-pyrido[3,2-e]pyrimidinyl]phenyl]methanesulfonamide
InChIKey PDRPNIUQNAWRSA-UHFFFAOYSA-N
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Elements C F H O N S Br