ChemDB: Chemical Search
Download
Chemical ID: 7254424
Chemical ID:
7254424
Name [?]:
o-tolylmethyl 1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxylate
SMILES [?]:
CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)OCc3ccccc3C
InChi [?]:
InChI=1/C19H18N2O4/c1-3-21-16-9-8-13(10-15(16)20-17(22)18(21)23)19(24)25-11-14-7-5-4-6-12(14)2/h4-10H,3,11H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,22,21,23,20,6,5,8,18,24,7,19,9,4,11,13,15,10,3,12,14,16,17/rA:25nCCNCCCCCCNCOCOCOOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s3s11;d13;s7;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4 |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5621 |
Area: | 549.474 |
Solvation: | -3.17478 |
Coulombic: | -62.0146 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.357 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.65 |
LogP (Chemaxon): | 3.2 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|