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Chemical ID: 6039104
Chemical ID:
6039104
Name [?]:
N-[2-(isopropylcarbamoyl)ethyl]-N-sec-butyl-pyrazine-2-carboxamide
SMILES [?]:
CCC(C)N(CCC(=O)NC(C)C)C(=O)c1cnccn1
InChi [?]:
InChI=1/C15H24N4O2/c1-5-12(4)19(9-6-14(20)18-11(2)3)15(21)13-10-16-7-8-17-13/h7-8,10-12H,5-6,9H2,1-4H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,12,13,4,2,7,19,20,6,17,11,3,16,8,14,18,21,10,5,9,15/E:(2,3)/rA:21cCCCCNCCCONCCCCOCCNCCN/rB:s1;s2;s3;s3;s5;s6;s7;d8;s8;s10;s11;s11;s5;d14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N4O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.6533 |
Area: | 504.534 |
Solvation: | -2.96005 |
Coulombic: | -48.1217 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 292.377 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.09 |
LogP (Chemaxon): | 0.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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