Chemical ID: 6038859

CC(=O)N1CCN(CC1)C(=O)CCN(Cc2ccccc2)C(=O)c3cnccn3
Chemical ID:
6038859
Name [?]:
N-[2-(4-acetylpiperazin-1-yl)carbonylethyl]-N-benzyl-pyrazine-2-carboxamide
SMILES [?]:
CC(=O)N1CCN(CC1)C(=O)CCN(Cc2ccccc2)C(=O)c3cnccn3
InChi [?]:
InChI=1/C21H25N5O3/c1-17(27)24-11-13-25(14-12-24)20(28)7-10-26(16-18-5-3-2-4-6-18)21(29)19-15-22-8-9-23-19/h2-6,8-9,15H,7,10-14,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,12,27,28,13,5,9,6,8,25,15,2,16,24,10,22,26,29,4,7,14,3,11,23/E:(3,4)(5,6)(11,12)(13,14)/rA:29nCCONCCNCCCOCCNCCCCCCCCOCCNCCN/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s14;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N5O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.374
Area:609.981
Solvation:-4.87554
Coulombic:-58.6931
Bond Count [?]
All:31
Single:22
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:395.455
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.25
LogP (Chemaxon):-0.8

Name Annotations

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Descriptor Annotations

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