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Chemical ID: 6038603
Chemical ID:
6038603
Name [?]:
N-isopentyl-N-[2-(1-phenylethylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
CC(C)CCN(CCC(=O)NC(C)c1ccccc1)C(=O)c2cnccn2
InChi [?]:
InChI=1/C21H28N4O2/c1-16(2)9-13-25(21(27)19-15-22-11-12-23-19)14-10-20(26)24-17(3)18-7-5-4-6-8-18/h4-8,11-12,15-17H,9-10,13-14H2,1-3H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,13,17,16,18,15,19,4,8,25,26,5,7,23,2,12,14,22,9,20,24,27,11,6,10,21/E:(1,2)(5,6)(7,8)/rA:27cCCCCCNCCCONCCCCCCCCCOCCNCCN/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s9;s11;s12;s12;s14;d15;s16;d17;d14s18;s6;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N4O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2325 |
Area: | 618.188 |
Solvation: | -3.22221 |
Coulombic: | -50.6002 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 368.473 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.06 |
LogP (Chemaxon): | 1.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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