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Chemical ID: 6039031
Chemical ID:
6039031
Name [?]:
N-cyclopropyl-N-[2-[(3,4-dimethylphenyl)carbamoyl]ethyl]pyrazine-2-carboxamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CCN(C2CC2)C(=O)c3cnccn3
InChi [?]:
InChI=1/C19H22N4O2/c1-13-3-4-15(11-14(13)2)22-18(24)7-10-23(16-5-6-16)19(25)17-12-20-8-9-21-17/h3-4,8-9,11-12,16H,5-7,10H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,16,17,12,23,24,13,6,21,2,7,5,15,20,10,18,22,25,9,14,11,19/E:(5,6)/rA:25nCCCCCCCCNCOCCNCCCCOCCNCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s15;s15s16;s14;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N4O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6538 |
Area: | 552.622 |
Solvation: | -3.1617 |
Coulombic: | -47.7066 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 338.404 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.95 |
LogP (Chemaxon): | 1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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