Chemical ID: 7021164

CCOc1cc(ccc1OC(=O)c2cc(c(c(c2)OC)OC)OC)C=NNC(=O)c3ccccc3O
Chemical ID:
7021164
Name [?]:
[2-ethoxy-4-[(2-hydroxybenzoyl)aminoiminomethyl]phenyl] 3,4,5-trimethoxybenzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2cc(c(c(c2)OC)OC)OC)C=NNC(=O)c3ccccc3O
InChi [?]:
InChI=1/C26H26N2O8/c1-5-35-21-12-16(15-27-28-25(30)18-8-6-7-9-19(18)29)10-11-20(21)36-26(31)17-13-22(32-2)24(34-4)23(14-17)33-3/h6-15,29H,5H2,1-4H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,20,24,22,2,32,33,31,34,7,8,5,18,14,25,6,13,30,35,9,4,17,15,16,28,11,26,27,36,29,12,19,23,21,3,10/E:(2,3)(13,14)(22,23)(32,33)/rA:36nCCOCCCCCCOCOCCCCCCOCOCOCCNNCOCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s15;s23;s6;w25;s26;s27;d28;s28;s30;d31;s32;d33;d30s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26N2O8
All Atoms:62
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:8.18457
Area:762.338
Solvation:-10.8739
Coulombic:-82.6934
Bond Count [?]
All:38
Single:26
Double:12
Rotors:12
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:494.493
H-Bond Donors:2
H-Bond Acceptors:10
XLogP:4.93
LogP (Chemaxon):4.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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