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Chemical ID: 6038949
Chemical ID:
6038949
Name [?]:
N-[2-(4-acetylpiperazin-1-yl)carbonylethyl]-N-butyl-pyrazine-2-carboxamide
SMILES [?]:
CCCCN(CCC(=O)N1CCN(CC1)C(=O)C)C(=O)c2cnccn2
InChi [?]:
InChI=1/C18H27N5O3/c1-3-4-8-23(18(26)16-14-19-6-7-20-16)9-5-17(25)22-12-10-21(11-13-22)15(2)24/h6-7,14H,3-5,8-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,3,7,24,25,4,6,12,14,11,15,22,16,21,8,19,23,26,13,10,5,17,9,20/E:(10,11)(12,13)/rA:26nCCCCNCCCONCCNCCCOCCOCCNCCN/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s5;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H27N5O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3563 |
Area: | 593.922 |
Solvation: | -4.49174 |
Coulombic: | -57.7375 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 361.439 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | -0.11 |
LogP (Chemaxon): | -1.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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