2-{5-[(4-Methyl-1-Piperazinyl)Sulfonyl]-2-Propoxyphenyl}-1,5,6,7-Tetrahydro-4H-Cyclopenta[D]Pyrimidin-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C21H28N4O4S+
IUPAC Name 2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-one
Molecular Mass 432.536 g·mol−1
Heat of Formation -494.6 ± 16.7 kJ·mol−1
Dipole Moment 8.80 ± 1.08 D
Volume 510.68 Å 3
Surface Area 428.96 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
InChIKey GVJMOYXLONOQAI-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N