Chemical ID: 7134381

CCC(CC)[NH+]1CCN(CC1)C(=O)c2cc(c(c(c2)OC)OC)OC
Chemical ID:
7134381
Name [?]:
[4-(1-ethylpropyl)-2,3,5,6-tetrahydropyrazin-1-yl]-(3,4,5-trimethoxyphenyl)-methanone
SMILES [?]:
CCC(CC)[NH+]1CCN(CC1)C(=O)c2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C19H30N2O4/c1-6-15(7-2)20-8-10-21(11-9-20)19(22)14-12-16(23-3)18(25-5)17(13-14)24-4/h12-13,15H,6-11H2,1-5H3/p+1
InChi Info:
AuxInfo=1/1/N:1,5,21,25,23,2,4,7,11,8,10,19,15,14,3,18,16,17,12,6,9,13,20,24,22/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(16,17)(23,24)/rA:25nCCCCCN+CCNCCCOCCCCCCOCOCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s16;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H31N2O4+
All Atoms:56
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-22.5185
Area:562.099
Solvation:-36.571
Coulombic:-6.29316
Bond Count [?]
All:26
Single:22
Double:4
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:351.461
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.15
LogP (Chemaxon):1.93

Name Annotations

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Descriptor Annotations

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