2,6-Dimethylphenyl [2-({3,5-Dimethoxy-4-[3-(4-Methyl-1-Piperazinyl)Propoxy]Phenyl}Amino)-4-Pyrimidinyl](2,4-Dimethoxyphenyl)Carbamate

Molecule SVG Image

Properties Simple | Detailed

Formula C37H46N6O7
IUPAC Name (2,6-dimethylphenyl) n-[2-[3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]anilino]pyrimidin-4-yl]-n-(2,4-dimethoxyphenyl)carbamate
Molecular Mass 686.797 g·mol−1
Heat of Formation -713.9 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 832.46 Å 3
Surface Area 575.03 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2,6-dimethylphenyl) n-[2-[[3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrimidin-4-yl]-n-(2,4-dimethoxyphenyl)carbamate
  • 1n9
  • n-[2-[[3,5-dimethoxy-4-[3-(4-methyl-1-piperazinyl)propoxy]phenyl]amino]-4-pyrimidinyl]-n-(2,4-dimethoxyphenyl)carbamic acid (2,6-dimethylphenyl) ester
  • n-[2-[[3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrimidin-4-yl]-n-(2,4-dimethoxyphenyl)carbamic acid (2,6-dimethylphenyl) ester
InChIKey VSJXTUFWPAOYLC-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N