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Chemical ID: 6038618
Chemical ID:
6038618
Name [?]:
N-[2-(hexylcarbamoyl)ethyl]-N-isopentyl-pyrazine-2-carboxamide
SMILES [?]:
CCCCCCNC(=O)CCN(CCC(C)C)C(=O)c1cnccn1
InChi [?]:
InChI=1/C19H32N4O2/c1-4-5-6-7-10-22-18(24)9-14-23(13-8-16(2)3)19(25)17-15-20-11-12-21-17/h11-12,15-16H,4-10,13-14H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,16,17,2,3,4,5,14,10,6,23,24,13,11,21,15,20,8,18,22,25,7,12,9,19/E:(2,3)/rA:25nCCCCCCNCOCCNCCCCCCOCCNCCN/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s15;s12;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H32N4O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6753 |
Area: | 624.938 |
Solvation: | -2.94817 |
Coulombic: | -49.9951 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 348.483 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.32 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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