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Chemical ID: 3932210
Chemical ID:
3932210
Name [?]:
N-[2-(2-pyridylcarbonylamino)phenyl]quinoxaline-6-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc3c(c2)nccn3)NC(=O)c4ccccn4
InChi [?]:
InChI=1/C21H15N5O2/c27-20(14-8-9-15-19(13-14)24-12-11-23-15)25-16-5-1-2-6-17(16)26-21(28)18-7-3-4-10-22-18/h1-13H,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,25,26,6,3,24,11,12,27,18,17,15,10,13,5,4,23,14,8,21,28,19,16,7,20,9,22/rA:28nCCCCCCNCOCCCCCCNCCNNCOCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;s13;d10s14;d14;s16;d17;d13s18;s4;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15N5O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8329 |
Area: | 582.994 |
Solvation: | -3.74197 |
Coulombic: | -59.4755 |
Bond Count [?]
All: | 31 |
Single: | 18 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 369.376 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.23 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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