Chemical ID: 7254424

CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)OCc3ccccc3C
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

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Experimental Annotations

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Descriptor Annotations

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