Chemical ID: 7218722

Cc1cccc(c1)C(=O)N2CC[NH+](CC2)Cc3ccccc3Br
Chemical ID:
7218722
Name [?]:
[4-[(2-bromophenyl)methyl]-2,3,5,6-tetrahydropyrazin-1-yl]-(m-tolyl)methanone
SMILES [?]:
Cc1cccc(c1)C(=O)N2CC[NH+](CC2)Cc3ccccc3Br
InChi [?]:
InChI=1/C19H21BrN2O/c1-15-5-4-7-16(13-15)19(23)22-11-9-21(10-12-22)14-17-6-2-3-8-18(17)20/h2-8,13H,9-12,14H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,19,20,4,3,18,5,21,12,14,11,15,7,16,2,6,17,22,8,23,13,10,9/E:(9,10)(11,12)/rA:23nCCCCCCCCONCCN+CCCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22BrN2O+
All Atoms:45
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-17.8939
Area:527.321
Solvation:-31.0769
Coulombic:10.657
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:374.295
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.16
LogP (Chemaxon):4.03

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