N-[(2S,3R)-1-(3,5-Difluorophenyl)-3-Hydroxy-4-({(5S)-5-[3-(2-Methyl-2-Propanyl)Phenyl]-4,5,6,7-Tetrahydro-1H-Indazol-5-Yl}Amino)-2-Butanyl]Acetamide
Properties
Property | Value |
---|---|
Formula | C29H36F2N4O2 |
IUPAC Name | n-[(1s,2r)-3-[[(5s)-5-(3-tert-butylphenyl)-1,4,6,7-tetrahydroindazol-5-yl]amino]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-propyl]acetamide |
Molecular Mass | 510.619 g·mol−1 |
Heat of Formation | -588.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.80 ± 1.08 D |
Volume | 637.88 Å 3 |
Surface Area | 497.81 Å 2 |
HOMO Energy | -9.06 ± 0.55 eV |
LUMO Energy | 2.56 ± eV |
Point Group Symmetry | C1 |
InChIKey | BAILJXDQIBWAPX-GKRYNVPLSA-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 |