1-{4-[2-(Benzyloxy)Ethyl]-1,3-Thiazol-2-Yl}-3-[1-(4-Methylphenyl)-3-(2-Methyl-2-Propanyl)-1H-Pyrazol-5-Yl]Urea

Molecule SVG Image

Properties Simple | Detailed

Formula C27H31N5O2S
IUPAC Name 1-[4-(2-benzyloxyethyl)thiazol-2-yl]-3-[5-tert-butyl-2-(p-tolyl)pyrazol-2-ium-5-ylium-3-yl]urea
Molecular Mass 489.632 g·mol−1
Heat of Formation 100.9 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 597.65 Å 3
Surface Area 533.01 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
InChIKey MZGQVTBIULKWER-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N