N-(2,4-Difluoro-3-{2-[(3-Hydroxypropyl)Amino]-8-Methyl-7-Oxo-7,8-Dihydropyrido[2,3-D]Pyrimidin-6-Yl}Phenyl)-1-Propanesulfonamide

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Properties Simple | Detailed

Formula C20H23F2N5O4S+
IUPAC Name n-[2,4-difluoro-3-[2-(3-hydroxypropylamino)-8-methyl-7-oxo-pyrido[2,3-d]pyrimidin-8-ium-6-id-6-yl]phenyl]propane-1-sulfonamide
Molecular Mass 467.490 g·mol−1
Heat of Formation -854.4 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 509.09 Å 3
Surface Area 454.31 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
InChIKey HCWAUGCXCGOSNN-UHFFFAOYSA-N
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