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Chemical ID: 7253874
Chemical ID:
7253874
Name [?]:
ethyl 2-quinoxalin-6-ylcarbonylaminobenzoate
SMILES [?]:
CCOC(=O)c1ccccc1NC(=O)c2ccc3c(c2)nccn3
InChi [?]:
InChI=1/C18H15N3O3/c1-2-24-18(23)13-5-3-4-6-14(13)21-17(22)12-7-8-15-16(11-12)20-10-9-19-15/h3-11H,2H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,7,10,16,17,23,22,20,15,6,11,18,19,13,4,24,21,12,14,5,3/rA:24nCCOCOCCCCCCNCOCCCCCCNCCN/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;d16;s17;s18;d15s19;d19;s21;d22;d18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15N3O3 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99771 |
Area: | 523.66 |
Solvation: | -3.0938 |
Coulombic: | -51.8973 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 321.33 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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