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Chemical ID: 6038870
Chemical ID:
6038870
Name [?]:
N-phenethyl-N-[2-(sec-butylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
CCC(C)NC(=O)CCN(CCc1ccccc1)C(=O)c2cnccn2
InChi [?]:
InChI=1/C20H26N4O2/c1-3-16(2)23-19(25)10-14-24(13-9-17-7-5-4-6-8-17)20(26)18-15-21-11-12-22-18/h4-8,11-12,15-16H,3,9-10,13-14H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,4,2,16,15,17,14,18,12,8,24,25,11,9,22,3,13,21,6,19,23,26,5,10,7,20/E:(5,6)(7,8)/rA:26cCCCCNCOCCNCCCCCCCCCOCCNCCN/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s10;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N4O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6934 |
Area: | 596.419 |
Solvation: | -3.21708 |
Coulombic: | -50.0814 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 354.446 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.08 |
LogP (Chemaxon): | 1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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