4-[1-(2-Amino-5-Chloro-4-Pyrimidinyl)-2,3-Dihydro-1H-Indol-6-Yl]-2-(1,3-Thiazol-2-Yl)-3-Butyn-2-Ol

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Properties Simple | Detailed

Formula C19H16ClN5OS
IUPAC Name (2r)-4-[1-(2-amino-5-chloro-pyrimidin-4-yl)indolin-6-yl]-2-thiazol-2-yl-but-3-yn-2-ol
Molecular Mass 397.881 g·mol−1
Heat of Formation 417.9 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 440.36 Å 3
Surface Area 390.08 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
InChIKey OKFYOOFXVBCIIP-LJQANCHMSA-N
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