Formula |
C16H17BrClN3O3 |
IUPAC Name |
7-bromo-6-chloro-3-[3-[(2r,3s)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one |
Molecular Mass |
414.681 g·mol−1 |
Heat of Formation |
-416.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.58 ± 1.08 D |
Volume |
409.78 Å 3 |
Surface Area |
327.95 Å 2 |
HOMO Energy |
-9.41 ± 0.55 eV |
LUMO Energy |
-1.29 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (+/-)-trans-7-bromo-6-chloro-3-[3-(3-hydroxy-2- piperidinyl)-2-oxopropyl]-4(3h)-quinazolinone hydrobromide
- 64924-67-0 (hydrobromide salt)
- 7-bromo-6-chloro-3-[3-[(2r,3s)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-4-quinazolinone
- 7-bromo-6-chloro-3-[3-[(2r,3s)-3-hydroxy-2-piperidyl]-2-keto-propyl]quinazolin-4-one
- 7-bromo-6-chloro-3-[3-[(2r,3s)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one
- 7-bromo-6-chloro-3-[3-[(2r,3s)-3-hydroxypiperidin-2-yl]-2-oxo-propyl]quinazolin-4-one
- halofunginone
|
InChIKey |
LVASCWIMLIKXLA-CABCVRRESA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
C
Cl
H
O
N
Br
|
|
|