5-Chloro-N-[1-(2-{[2-Fluoro-4-(2-Oxo-1(2H)-Pyridinyl)Phenyl]Amino}-2-Oxoethyl)-1H-1,2,4-Triazol-3-Yl]-2-Thiophenecarboxamide
Properties
Property | Value |
---|---|
Formula | C20H14ClFN6O3S |
IUPAC Name | 5-chloro-n-[1-[2-[2-fluoro-4-(2-oxo-1-pyridyl)anilino]-2-oxo-ethyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide |
Molecular Mass | 472.880 g·mol−1 |
Heat of Formation | -88.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.06 ± 1.08 D |
Volume | 495.38 Å 3 |
Surface Area | 451.11 Å 2 |
HOMO Energy | -9.08 ± 0.55 eV |
LUMO Energy | 1.71 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | KAUVVMPQUJSRIS-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H Cl O N S |