Formula |
C28H33N5O2 |
IUPAC Name |
4-[(1s)-1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-[3-[(3s)-3-ethyl-1-methyl-2-oxo-azepan-3-yl]phenoxy]benzonitrile |
Molecular Mass |
471.594 g·mol−1 |
Heat of Formation |
6.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.78 ± 1.08 D |
Volume |
584.63 Å 3 |
Surface Area |
437.16 Å 2 |
HOMO Energy |
-9.23 ± 0.55 eV |
LUMO Energy |
-0.64 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[1-amino-1-(1-methyl-1h-imidizol-5-yl)-ethyl]-benzonitrile
- 4-[(1s)-1-amino-1-(3-methyl-4-imidazolyl)ethyl]-2-[3-[(3s)-3-ethyl-1-methyl-2-oxo-3-azepanyl]phenoxy]benzonitrile
- 4-[(1s)-1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-[3-[(3s)-3-ethyl-1-methyl-2-oxo-azepan-3-yl]phenoxy]benzonitrile
- 4-[(1s)-1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-[3-[(3s)-3-ethyl-1-methyl-2-oxoazepan-3-yl]phenoxy]benzonitrile
- 4-[(1s)-1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-[3-[(3s)-3-ethyl-2-keto-1-methyl-azepan-3-yl]phenoxy]benzonitrile
- bne
|
InChIKey |
MHNMEERHZSPWFL-NSOVKSMOSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|