1-[5-Methyl-2-(Trifluoromethyl)-3-Furyl]-3-[5-(2-{[6-(1H-1,2,4-Triazol-3-Ylamino)-4-Pyrimidinyl]Amino}Ethyl)-1,3-Thiazol-2-Yl]Urea

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Properties Simple | Detailed

Formula C18H17F3N10O2S
IUPAC Name 1-[5-methyl-2-(trifluoromethyl)-3-furyl]-3-[5-[2-[[6-(1h-1,2,4-triazol-5-ylamino)pyrimidin-4-yl]amino]ethyl]thiazol-2-yl]urea
Molecular Mass 494.454 g·mol−1
Heat of Formation -344.8 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 513.61 Å 3
Surface Area 476.9 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
InChIKey KNTGXMNWVXZIMW-UHFFFAOYSA-N
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