Chemical ID: 7475095

CC(=O)Oc1ccc(cc1OC)C=NNC(=O)c2ccccc2OCC=C
Chemical ID:
7475095
Name [?]:
[4-[(2-allyloxybenzoyl)aminoiminomethyl]-2-methoxy-phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1OC)C=NNC(=O)c2ccccc2OCC=C
InChi [?]:
InChI=1/C20H20N2O5/c1-4-11-26-17-8-6-5-7-16(17)20(24)22-21-13-15-9-10-18(27-14(2)23)19(12-15)25-3/h4-10,12-13H,1,11H2,2-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:27,1,12,26,20,21,19,22,7,6,25,9,13,2,8,18,23,5,10,16,14,15,3,17,11,24,4/rA:27nCCOOCCCCCCOCCNNCOCCCCCCOCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s24;s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O5
All Atoms:47
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.71292
Area:624.659
Solvation:-7.90357
Coulombic:-51.5929
Bond Count [?]
All:28
Single:18
Double:10
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:368.383
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.96
LogP (Chemaxon):2.98

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