N-[(2S,3R)-4-{[(2R,4S)-2-Cyclopropyl-6-(2,2-Dimethylpropyl)-3,4-Dihydro-2H-Chromen-4-Yl]Amino}-1-(3,5-Difluorophenyl)-3-Hydroxy-2-Butanyl]Acetamide
Properties
| Property | Value |
|---|---|
| Formula | C29H38F2N2O3 |
| IUPAC Name | n-[(1s,2r)-3-[[(2r,4s)-2-cyclopropyl-6-(2,2-dimethylpropyl)chroman-4-yl]amino]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-propyl]acetamide |
| Molecular Mass | 500.620 g·mol−1 |
| Heat of Formation | -901.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.33 ± 1.08 D |
| Volume | 633.31 Å 3 |
| Surface Area | 445.66 Å 2 |
| HOMO Energy | -8.91 ± 0.55 eV |
| LUMO Energy | 2.82 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IBLLHMQPQAMFLM-WDTRASESSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |