Formula |
C28H37FN8O3 |
IUPAC Name |
4-[[(7r)-9-cyclopentyl-7-fluoro-5-methyl-6-oxo-7-vinyl-8h-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-n-(4-methylpiperazin-1-yl)benzamide |
Molecular Mass |
552.644 g·mol−1 |
Heat of Formation |
-197.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.78 ± 1.08 D |
Volume |
649.98 Å 3 |
Surface Area |
550.3 Å 2 |
HOMO Energy |
-8.45 ± 0.55 eV |
LUMO Energy |
2.21 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IVRPFXYSCCXTAK-MUUNZHRXSA-N |
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Elements |
H
C
F
O
N
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