Chemical ID: 7134373

COc1cccc(c1OC)C(=O)N2CC[NH+](CC2)Cc3ccc(cc3)F
Chemical ID:
7134373
Name [?]:
(2,3-dimethoxyphenyl)-[4-[(4-fluorophenyl)methyl]-2,3,5,6-tetrahydropyrazin-1-yl]-methanone
SMILES [?]:
COc1cccc(c1OC)C(=O)N2CC[NH+](CC2)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C20H23FN2O3/c1-25-18-5-3-4-17(19(18)26-2)20(24)23-12-10-22(11-13-23)14-15-6-8-16(21)9-7-15/h3-9H,10-14H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,10,5,6,4,21,25,22,24,15,17,14,18,19,20,23,7,3,8,11,26,16,13,12,2,9/E:(6,7)(8,9)(10,11)(12,13)/rA:26nCOCCCCCCOCCONCCN+CCCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24FN2O3+
All Atoms:50
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-24.8547
Area:550.413
Solvation:-38.615
Coulombic:-1.9766
Bond Count [?]
All:28
Single:21
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:359.415
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.64
LogP (Chemaxon):2.4

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Descriptor Annotations

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