N-[2-(Dimethylamino)Ethyl]-N-Methyl-4-[({4-[4-(4-Morpholinyl)-7-(2,2,2-Trifluoroethyl)-7H-Pyrrolo[2,3-D]Pyrimidin-2-Yl]Phenyl}Carbamoyl)Amino]Benzamide

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Properties Simple | Detailed

Formula C31H35F3N8O3
IUPAC Name n-[2-(dimethylamino)ethyl]-n-methyl-4-[[4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide
Molecular Mass 624.657 g·mol−1
Heat of Formation -717.3 ± 16.7 kJ·mol−1
Dipole Moment 6.55 ± 1.08 D
Volume 718.87 Å 3
Surface Area 600.54 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey GMASZVAHNYVURN-UHFFFAOYSA-N
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