N-{2-[5-(4-{(1R)-1-[(4,6-Diamino-2-Pyrimidinyl)Sulfanyl]Ethyl}-5-Methyl-1,3-Thiazol-2-Yl)-2-Methoxyphenoxy]Ethyl}Methanesulfonamide

Molecule SVG Image

Properties Simple | Detailed

Formula C20H26N6O4S3
IUPAC Name n-[2-[5-[4-[(1r)-1-(4,6-diaminopyrimidin-2-yl)sulfanylethyl]-5-methyl-thiazol-2-yl]-2-methoxy-phenoxy]ethyl]methanesulfonamide
Molecular Mass 510.653 g·mol−1
Heat of Formation -392.8 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 565.06 Å 3
Surface Area 480.64 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey MBPWFMBRNJJXFY-GFCCVEGCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N