Chemical ID: 6039103

CCC(C)N(CCC(=O)NCC(C)C)C(=O)c1cnccn1
Chemical ID:
6039103
Name [?]:
N-[2-(isobutylcarbamoyl)ethyl]-N-sec-butyl-pyrazine-2-carboxamide
SMILES [?]:
CCC(C)N(CCC(=O)NCC(C)C)C(=O)c1cnccn1
InChi [?]:
InChI=1/C16H26N4O2/c1-5-13(4)20(9-6-15(21)19-10-12(2)3)16(22)14-11-17-7-8-18-14/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,13,14,4,2,7,20,21,6,11,18,12,3,17,8,15,19,22,10,5,9,16/E:(2,3)/rA:22cCCCCNCCCONCCCCCOCCNCCN/rB:s1;s2;s3;s3;s5;s6;s7;d8;s8;s10;s11;s12;s12;s5;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H26N4O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.3246
Area:532.608
Solvation:-2.99058
Coulombic:-48.6951
Bond Count [?]
All:22
Single:17
Double:5
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:306.403
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.29
LogP (Chemaxon):0.51

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Descriptor Annotations

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