Formula |
C20H22N4O3 |
IUPAC Name |
7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]chromen-2-one |
Molecular Mass |
366.414 g·mol−1 |
Heat of Formation |
-136.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.66 ± 1.08 D |
Volume |
430.08 Å 3 |
Surface Area |
394.89 Å 2 |
HOMO Energy |
-8.79 ± 0.55 eV |
LUMO Energy |
-1.01 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2h-1-benzopyran-2-one, 7-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propoxy)-
- 7-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propoxy)-2h-1-benzopyran-2-one sulfate
- 7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]coumarin
- 7-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propoxy]-2-chromenone
- pd 118717
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CAS Number(s) |
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InChIKey |
VOVJICPSVGGMIF-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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