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

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Properties Simple | Detailed

Formula C21H28N6O4S3
IUPAC Name n-[2-[5-[4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-5-propyl-thiazol-2-yl]-2-methoxy-phenoxy]ethyl]methanesulfonamide
Molecular Mass 524.680 g·mol−1
Heat of Formation -398.2 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 589.13 Å 3
Surface Area 511.04 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey VWMTUHOSEYDVPP-UHFFFAOYSA-N
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