6-(2,6-Dichlorophenyl)-8-Methyl-2-{[3-(Methylsulfanyl)Phenyl]Amino}Pyrido[2,3-D]Pyrimidin-7(8H)-One
Properties
Property | Value |
---|---|
Formula | C21H16Cl2N4OS |
IUPAC Name | 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-1,3-diium-4a-id-7-one |
Molecular Mass | 443.349 g·mol−1 |
Heat of Formation | 149.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.96 ± 1.08 D |
Volume | 483.66 Å 3 |
Surface Area | 409.14 Å 2 |
HOMO Energy | -8.59 ± 0.55 eV |
LUMO Energy | -1.17 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | VAARYSWULJUGST-UHFFFAOYSA-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 |