N-{3-[6-({4-[(2S)-1,4-Dimethyl-3-Oxo-2-Piperazinyl]Phenyl}Amino)-4-Methyl-5-Oxo-4,5-Dihydro-2-Pyrazinyl]-2-Methylphenyl}-4,5,6,7-Tetrahydro-1-Benzothiophene-2-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C33H36N6O3S |
| IUPAC Name | n-[3-[6-[4-[(1s,2s)-1,4-dimethyl-3-oxo-piperazin-2-yl]anilino]-4-methyl-5-oxo-pyrazin-2-yl]-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide |
| Molecular Mass | 596.742 g·mol−1 |
| Heat of Formation | -110.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.97 ± 1.08 D |
| Volume | 707.62 Å 3 |
| Surface Area | 598.72 Å 2 |
| HOMO Energy | -7.94 ± 0.55 eV |
| LUMO Energy | -0.74 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CDOOFZZILLRUQH-LJAQVGFWSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |