5-(2-{[4-(Dimethylcarbamoyl)Phenyl]Amino}-4-Methoxy-5-Pyrimidinyl)-3-Thiophenecarboxylic Acid

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Properties Simple | Detailed

Formula C19H18N4O4S
IUPAC Name 5-[2-[4-(dimethylcarbamoyl)anilino]-4-methoxy-pyrimidin-5-yl]thiophene-3-carboxylic acid
Molecular Mass 398.436 g·mol−1
Heat of Formation -339.9 ± 16.7 kJ·mol−1
Dipole Moment 6.31 ± 1.08 D
Volume 451.42 Å 3
Surface Area 408.22 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey HXQTUKJNZNLOBD-UHFFFAOYSA-N
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