8-(2,3-Dihydro-1H-Inden-5-Yl)-2-({4-[(3R,5S)-3,5-Dimethyl-1-Piperazinyl]Phenyl}Amino)-5-Oxo-5,8-Dihydropyrido[2,3-D]Pyrimidine-6-Carboxamide

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Properties Simple | Detailed

Formula C29H32N7O2
IUPAC Name 2-[4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]anilino]-8-indan-5-yl-5-oxo-pyrido[2,3-d]pyrimidine-1,3-diium-4a-ide-6-carboxamide
Molecular Mass 510.610 g·mol−1
Heat of Formation 17.8 ± 16.7 kJ·mol−1
Dipole Moment 8.02 ± 1.08 D
Volume 610.75 Å 3
Surface Area 470.61 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
InChIKey AHBSXTVFKVCNCE-HDICACEKSA-N
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