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Chemical ID: 6039103
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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