N-{3-[6-({4-[(2R)-1,4-Dimethyl-3-Oxo-2-Piperazinyl]Phenyl}Amino)-4-Methyl-5-Oxo-4,5-Dihydro-2-Pyrazinyl]-2-Methylphenyl}-4,5,6,7-Tetrahydro-1-Benzothiophene-2-Carboxamide

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Formula C33H36N6O3S+
IUPAC Name n-[3-[6-[4-[(1r,2r)-1,4-dimethyl-3-oxo-piperazin-2-yl]anilino]-4-methyl-5-oxo-pyrazin-4-ium-6-ylium-2-yl]-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
Molecular Mass 596.742 g·mol−1
Heat of Formation -115.8 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 710.45 Å 3
Surface Area 587.91 Å 2
HOMO Energy -8.05 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
InChIKey CDOOFZZILLRUQH-GDLZYMKVSA-N
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