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Chemical ID: 7021164
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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