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Chemical ID: 7261623
Chemical ID:
7261623
Name [?]:
methyl 2-quinoxalin-6-ylcarbonylaminobenzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)c2ccc3c(c2)nccn3
InChi [?]:
InChI=1/C17H13N3O3/c1-23-17(22)12-4-2-3-5-13(12)20-16(21)11-6-7-14-15(10-11)19-9-8-18-14/h2-10H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,15,16,22,21,19,14,5,10,17,18,12,3,23,20,11,13,4,2/rA:23nCOCOCCCCCCNCOCCCCCCNCCN/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;s17;d14s18;d18;s20;d21;d17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13N3O3 |
All Atoms: | 36 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.22694 |
Area: | 497.553 |
Solvation: | -3.21188 |
Coulombic: | -51.5807 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 307.304 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.78 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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