N-{2-[(1S,8R)-4-{[4-(Cyclobutylamino)-5-(Trifluoromethyl)-2-Pyrimidinyl]Amino}-11-Azatricyclo[6.2.1.0~2,7~]Undeca-2,4,6-Trien-11-Yl]-2-Oxoethyl}Acetamide

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Properties Simple | Detailed

Formula C23H26F3N6O2
IUPAC Name n-{2-[(1s,8r)-4-{[4-(cyclobutylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino}-11-azatricyclo[6.2.1.0 2,7 ]undeca-2,4,6-trien-11-yl]-2-oxoethyl}acetamide
Molecular Mass 475.487 g·mol−1
Heat of Formation -697.7 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 541.51 Å 3
Surface Area 439.04 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
InChIKey RYYNGWLOYLRZLK-MOPGFXCFSA-N
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