Formula |
C30H35N7O3S |
IUPAC Name |
1-[4-[[2-(1h-indazol-4-yl)-4-morpholino-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4-dione |
Molecular Mass |
573.709 g·mol−1 |
Heat of Formation |
17.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.53 ± 1.08 D |
Volume |
675.15 Å 3 |
Surface Area |
577.05 Å 2 |
HOMO Energy |
-8.51 ± 0.55 eV |
LUMO Energy |
1.89 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DLNUPKDFXMWRFP-UHFFFAOYSA-N |
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Elements |
H
C
S
O
N
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