Chemical ID: 7021078

CCCCCC(=O)NN=Cc1ccc(c(c1)OCC)OC(=O)c2ccccc2
Chemical ID:
7021078
Name [?]:
[2-ethoxy-4-(hexanoylaminoiminomethyl)phenyl] benzoate
SMILES [?]:
CCCCCC(=O)NN=Cc1ccc(c(c1)OCC)OC(=O)c2ccccc2
InChi [?]:
InChI=1/C22H26N2O4/c1-3-5-7-12-21(25)24-23-16-17-13-14-19(20(15-17)27-4-2)28-22(26)18-10-8-6-9-11-18/h6,8-11,13-16H,3-5,7,12H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,19,2,18,3,26,4,25,27,24,28,5,12,13,16,10,11,23,14,15,6,21,9,8,7,22,17,20/E:(8,9)(10,11)/rA:28nCCCCCCONNCCCCCCCOCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s17;s18;s14;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26N2O4
All Atoms:54
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.3351
Area:672.183
Solvation:-5.46951
Coulombic:-46.9199
Bond Count [?]
All:29
Single:20
Double:9
Rotors:12
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:382.453
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.81
LogP (Chemaxon):4.65

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Descriptor Annotations

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