N'-{(1S,2S)-3-(3,5-Difluorophenyl)-1-Hydroxy-1-[(2R)-4-(Phenylsulfonyl)-2-Piperazinyl]-2-Propanyl}-5-Methyl-N,N-Dipropylisophthalamide
Properties
Property | Value |
---|---|
Formula | C34H42F2N4O5S |
IUPAC Name | n1-[(1s,2s)-2-[(2r)-4-(benzenesulfonyl)piperazin-2-yl]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-ethyl]-5-methyl-n3,n3-dipropyl-benzene-1,3-dicarboxamide |
Molecular Mass | 656.783 g·mol−1 |
Heat of Formation | -1119.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.32 ± 1.08 D |
Volume | 806.08 Å 3 |
Surface Area | 617.38 Å 2 |
HOMO Energy | -9.12 ± 0.55 eV |
LUMO Energy | -0.69 ± eV |
Point Group Symmetry | C1 |
InChIKey | KDRUCCZCGHVXGH-QAXCHELISA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |