Chemical ID: 5473186

COC(=O)c1ccc(c(c1)NC(=O)COc2ccccc2C#N)C(=O)OC
Chemical ID:
5473186
Name [?]:
dimethyl 2-[2-(2-cyanophenoxy)acetyl]aminobenzene-1,4-dicarboxylate
SMILES [?]:
COC(=O)c1ccc(c(c1)NC(=O)COc2ccccc2C#N)C(=O)OC
InChi [?]:
InChI=1/C19H16N2O6/c1-25-18(23)12-7-8-14(19(24)26-2)15(9-12)21-17(22)11-27-16-6-4-3-5-13(16)10-20/h3-9H,11H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,27,19,18,20,17,6,7,10,22,14,5,21,8,9,16,12,3,24,23,11,13,4,25,2,26,15/rA:27nCOCOCCCCCCNCOCOCCCCCCCNCOOC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;t22;s8;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O6
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.9181
Area:604.464
Solvation:-6.1935
Coulombic:-70.111
Bond Count [?]
All:28
Single:18
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:368.34
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.7
LogP (Chemaxon):2.44

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Descriptor Annotations

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