Chemical ID: 6038949

CCCCN(CCC(=O)N1CCN(CC1)C(=O)C)C(=O)c2cnccn2
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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Descriptor Annotations

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