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Chemical ID: 6038187
Chemical ID:
6038187
Name [?]:
N-benzyl-N-[2-(isopropylcarbamoyl)ethyl]-5-methyl-pyrazine-2-carboxamide
SMILES [?]:
Cc1cnc(cn1)C(=O)N(CCC(=O)NC(C)C)Cc2ccccc2
InChi [?]:
InChI=1/C19H24N4O2/c1-14(2)22-18(24)9-10-23(13-16-7-5-4-6-8-16)19(25)17-12-20-15(3)11-21-17/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:17,18,1,23,22,24,21,25,12,11,3,6,19,16,2,20,5,13,8,7,4,15,10,14,9/E:(1,2)(5,6)(7,8)/rA:25nCCCNCCNCONCCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s13;s15;s16;s16;s10;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N4O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9038 |
Area: | 562.871 |
Solvation: | -3.16794 |
Coulombic: | -49.5176 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 340.42 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.88 |
LogP (Chemaxon): | 0.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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