3-(2-Chlorophenyl)-7-[(Trans-4-Hydroxycyclohexyl)Amino]-3,4-Dihydropyrimido[4,5-D]Pyrimidin-2(1H)-One

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Formula C18H20ClN5O2
IUPAC Name 3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one
Molecular Mass 373.837 g·mol−1
Heat of Formation -198.6 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 420.35 Å 3
Surface Area 369.81 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
InChIKey NSHBSERFNQQOCC-JOCQHMNTSA-N
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