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
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl H O N S |