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ScientificNameLabel
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5,10-Diethoxy-2,3,7,8-tetrahydro-1H,6H-dipyrrolo[1,2-a;1',2'-d]pyrazine
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| PHCD compound ID : |
3646
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| Chemical Names : |
5,10-Diethoxy-2,3,7,8-tetrahydro-1H,6H-dipyrrolo[1,2-a;1',2'-d]pyrazine
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| Molecular Formula : |
C14H22N2O2
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| Molecular Weight : |
250.168128
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More Details :
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| Names & Synonyms: |
5,10-diethoxy-1,2,3,6,7,8-hexahydrodipyrrolo[1,2-c:1',2'-f]pyrazine
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| Smiles: |
CCOc1c2CCCn2c(c2n1CCC2)OCC
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| InChi : |
InChI=1S/C14H22N2O2/c1-3-17-13-11-7-5-10-16(11)14(18-4-2)12-8-6-9-15(12)13/h3-10H2,1-2H3
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| InChi Key : |
InChIKey=RYKFSYFFMUVWFK-UHFFFAOYSA-N
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| PubChem ID : |
551125
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| Rotatable bond count : |
4
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
4
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Ionization potential : |
6.925181
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.263
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| XLogP : |
3.79
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VDW volume : |
247.931924
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| Molecular weight : |
250.168128
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HOMO-LUMO gap : |
7.743000
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