Formula |
C26H37N5O5S |
IUPAC Name |
5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-7-propyl-1h-pyrrolo[3,2-d]pyrimidin-4-one |
Molecular Mass |
531.667 g·mol−1 |
Heat of Formation |
-663.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.74 ± 1.08 D |
Volume |
636.14 Å 3 |
Surface Area |
526.31 Å 2 |
HOMO Energy |
-8.54 ± 0.55 eV |
LUMO Energy |
-1.23 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-7-propyl-1h-pyrrolo[2,3-e]pyrimidin-4-one
- 5-ethyl-2-[5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-7-propyl-1h-pyrrolo[2,3-e]pyrimidin-4-one
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InChIKey |
MIJFNYMSCFYZNY-UHFFFAOYSA-N |
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Downloads |
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Elements |
H
S
C
O
N
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