Formula |
C25H35FN6S |
IUPAC Name |
2-[3-[(4s)-1-[(1s)-2-(benzylamino)-1-methyl-ethyl]-3-[2-(3-fluorophenyl)ethyl]-2-thioxo-imidazolidin-4-yl]propyl]guanidine |
Molecular Mass |
470.649 g·mol−1 |
Heat of Formation |
45.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.70 ± 1.08 D |
Volume |
600.47 Å 3 |
Surface Area |
486.96 Å 2 |
HOMO Energy |
-8.11 ± 0.55 eV |
LUMO Energy |
2.98 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 2-[3-[(4s)-1-[(1s)-2-(benzylamino)-1-methyl-ethyl]-3-[2-(3-fluorophenyl)ethyl]-2-thioxo-imidazolidin-4-yl]propyl]guanidine
- 2-[3-[(4s)-3-[2-(3-fluorophenyl)ethyl]-1-[(1s)-1-methyl-2-(phenylmethylamino)ethyl]-2-thioxo-4-imidazolidinyl]propyl]guanidine
- 2-[3-[(4s)-3-[2-(3-fluorophenyl)ethyl]-1-[(1s)-1-methyl-2-(phenylmethylamino)ethyl]-2-thioxo-imidazolidin-4-yl]propyl]guanidine
- 2-[3-[(4s)-3-[2-(3-fluorophenyl)ethyl]-1-[(2s)-1-(phenylmethylamino)propan-2-yl]-2-sulfanylidene-imidazolidin-4-yl]propyl]guanidine
|
InChIKey |
DSJVYEAOYVHUJW-CVDCTZTESA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
S
N
C
F
|
|
|