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Chemical ID: 3932213
Chemical ID:
3932213
Name [?]:
N-[2-(2-morpholinoacetyl)aminophenyl]quinoxaline-6-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CN2CCOCC2)NC(=O)c3ccc4c(c3)nccn4
InChi [?]:
InChI=1/C21H21N5O3/c27-20(14-26-9-11-29-12-10-26)24-17-3-1-2-4-18(17)25-21(28)15-5-6-16-19(13-15)23-8-7-22-16/h1-8,13H,9-12,14H2,(H,24,27)(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,21,22,28,27,12,16,13,15,25,10,20,23,5,4,24,8,18,29,26,7,17,11,9,19,14/E:(9,10)(11,12)/rA:29nCCCCCCNCOCNCCOCCNCOCCCCCCNCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s4;s17;d18;s18;s20;d21;s22;s23;d20s24;d24;s26;d27;d23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21N5O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.24485 |
Area: | 608.831 |
Solvation: | -5.97593 |
Coulombic: | -63.7424 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 391.423 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.8 |
LogP (Chemaxon): | 1.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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