Isopropyl {[4-Ethoxy-3-(1-Methyl-7-Oxo-3-Propyl-6,7-Dihydro-1H-Pyrazolo[4,3-D]Pyrimidin-5-Yl)Phenyl]Sulfonyl}Carbamate

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Properties Simple | Detailed

Formula C21H33N5O6S
IUPAC Name isopropyl n-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6h-pyrazolo[4,3-d]pyrimidine-2,3,3a,4,5,7a-hexaid-5-yl)phenyl]sulfonylcarbamate
Molecular Mass 483.582 g·mol−1
Heat of Formation -866.0 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 546.68 Å 3
Surface Area 453.26 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey RGTRFWTZGHUUBF-UHFFFAOYSA-N
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