N~2~-{4-[6-(3,4-Dihydro-1(2H)-Quinolinylcarbonyl)-1H-Benzimidazol-1-Yl]-6-Ethoxy-1,3,5-Triazin-2-Yl}-3-(2,2-Dimethyl-4H-1,3-Benzodioxin-6-Yl)-N-Methyl-L-Alaninamide
Properties
Property | Value |
---|---|
Formula | C36H38N8O5 |
IUPAC Name | (2s)-2-[[4-[6-(3,4-dihydro-2h-quinoline-1-carbonyl)benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl]amino]-3-(2,2-dimethyl-4h-1,3-benzodioxin-6-yl)-n-methyl-propanamide |
Molecular Mass | 662.738 g·mol−1 |
Heat of Formation | -390.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.07 ± 1.08 D |
Volume | 791.06 Å 3 |
Surface Area | 606.0 Å 2 |
HOMO Energy | -8.65 ± 0.55 eV |
LUMO Energy | 1.68 ± eV |
Point Group Symmetry | C1 |
InChIKey | IIOQBYZRVQSNSJ-MHZLTWQESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |