4-[[(3As,4R,5R)-5-Cyclopentyl-4-Ethyl-3A,4-Dihydro-3H-[1,2,4]Triazolo[4,3-F]Pteridin-7-Yl]Amino]-N-Cyclopropyl-3-Methoxy-Benzamide

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Properties Simple | Detailed

Formula C25H32N8O2
IUPAC Name 4-[[(3as,4r,5r)-5-cyclopentyl-4-ethyl-3a,4-dihydro-3h-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-n-cyclopropyl-3-methoxy-benzamide
Molecular Mass 476.574 g·mol−1
Heat of Formation 163.8 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 569.16 Å 3
Surface Area 485.93 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
InChIKey BNAAGNVFCJFJIF-AUSIDOKSSA-N
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