Chemical ID: 7121483

CC[NH+]1CCN(CC1)C(=O)c2cc(cc(c2)OC)OC
Chemical ID:
7121483
Name [?]:
(3,5-dimethoxyphenyl)-(4-ethyl-2,3,5,6-tetrahydropyrazin-1-yl)-methanone
SMILES [?]:
CC[NH+]1CCN(CC1)C(=O)c2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C15H22N2O3/c1-4-16-5-7-17(8-6-16)15(18)12-9-13(19-2)11-14(10-12)20-3/h9-11H,4-8H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,18,20,2,4,8,5,7,16,12,14,11,15,13,9,3,6,10,17,19/E:(2,3)(5,6)(7,8)(9,10)(13,14)(19,20)/rA:20nCCN+CCNCCCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s13;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23N2O3+
All Atoms:43
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-22.6323
Area:473.616
Solvation:-34.4727
Coulombic:-0.098446
Bond Count [?]
All:21
Single:17
Double:4
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:279.355
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.47
LogP (Chemaxon):0.83

Name Annotations

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Descriptor Annotations

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