Formula |
C24H29ClN6OS |
IUPAC Name |
4-[2-[[4-[3-(4-chlorophenyl)propylsulfanyl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]phenol |
Molecular Mass |
485.045 g·mol−1 |
Heat of Formation |
108.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.32 ± 1.08 D |
Volume |
572.27 Å 3 |
Surface Area |
516.72 Å 2 |
HOMO Energy |
-8.63 ± 0.55 eV |
LUMO Energy |
-0.17 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (
- )
- ,
- -
- 1
- 2
- 3
- 4
- 5
- 6
- [
- ]
- c
- d
- f
- i
- m
- o
- p
- s
- u
- x
- y
|
InChIKey |
AIBKIFHSQQYXLG-UHFFFAOYSA-N |
QR Code |
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Links |
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|
DOI |
|
Downloads |
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|
Elements |
C
Cl
H
O
N
S
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