Formula |
C32H41N5O4S2 |
IUPAC Name |
n-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methyl-phenyl]sulfanylthiazol-2-yl]-4-[[[(1s)-1,2,2-trimethylpropyl]amino]methyl]benzamide |
Molecular Mass |
623.829 g·mol−1 |
Heat of Formation |
-508.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.41 ± 1.08 D |
Volume |
764.86 Å 3 |
Surface Area |
577.35 Å 2 |
HOMO Energy |
-8.59 ± 0.55 eV |
LUMO Energy |
1.85 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZHXNIYGJAOPMSO-NRFANRHFSA-N |
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Links |
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Elements |
H
C
S
O
N
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