ChemDB: Chemical Search
Download
Chemical ID: 7121483
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|