Chemical ID: 7122159

COc1cccc(c1)C(=O)N2CC[NH+](CC2)C3CCCC3
Chemical ID:
7122159
Name [?]:
(4-cyclopentyl-2,3,5,6-tetrahydropyrazin-1-yl)-(3-methoxyphenyl)-methanone
SMILES [?]:
COc1cccc(c1)C(=O)N2CC[NH+](CC2)C3CCCC3
InChi [?]:
InChI=1/C17H24N2O2/c1-21-16-8-4-5-14(13-16)17(20)19-11-9-18(10-12-19)15-6-2-3-7-15/h4-5,8,13,15H,2-3,6-7,9-12H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,19,20,5,6,18,21,4,13,15,12,16,8,7,17,3,9,14,11,10,2/E:(2,3)(6,7)(9,10)(11,12)/rA:21nCOCCCCCCCONCCN+CCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25N2O2+
All Atoms:46
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-19.3756
Area:485.807
Solvation:-31.5208
Coulombic:4.25256
Bond Count [?]
All:23
Single:19
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.393
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.39
LogP (Chemaxon):1.93

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