(2S)-1,3-Benzothiazol-2-Yl(2-{[2-(3-Pyridinyl)Ethyl]Amino}-4-Pyrimidinyl)Acetonitrile
Properties
Property | Value |
---|---|
Formula | C20H16N6S |
IUPAC Name | (2s)-2-(1,3-benzothiazol-2-yl)-2-[2-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]acetonitrile |
Molecular Mass | 372.446 g·mol−1 |
Heat of Formation | 626.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.01 ± 1.08 D |
Volume | 435.28 Å 3 |
Surface Area | 393.53 Å 2 |
HOMO Energy | -9.16 ± 0.55 eV |
LUMO Energy | 0.90 ± eV |
Point Group Symmetry | C1 |
InChIKey | RCYPVQCPYKNSTG-OAHLLOKOSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S N |