Chemical ID: 7253874

CCOC(=O)c1ccccc1NC(=O)c2ccc3c(c2)nccn3
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

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Experimental Annotations

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Descriptor Annotations

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