N'-[(1S,2S)-1-[(2R)-4-Benzoyl-2-Piperazinyl]-3-(3,5-Difluorophenyl)-1-Hydroxy-2-Propanyl]-5-Methyl-N,N-Dipropylisophthalamide
Properties
Property | Value |
---|---|
Formula | C35H42F2N4O4 |
IUPAC Name | n3-[(1s,2s)-2-[(2r)-4-benzoylpiperazin-2-yl]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-ethyl]-5-methyl-n1,n1-dipropyl-benzene-1,3-dicarboxamide |
Molecular Mass | 620.729 g·mol−1 |
Heat of Formation | -988.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.03 ± 1.08 D |
Volume | 772.98 Å 3 |
Surface Area | 578.62 Å 2 |
HOMO Energy | -9.06 ± 0.55 eV |
LUMO Energy | 2.52 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZJLWDMHHAMNWRK-QAXCHELISA-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 |