Chemical ID: 5863468

Cc1cccc(c1C)OCC(=O)NN=Cc2ccccc2OC(=O)c3cc(c(c(c3)OC)OC)OC
Chemical ID:
5863468
Name [?]:
[2-[[2-(2,3-dimethylphenoxy)acetyl]aminoiminomethyl]phenyl] 3,4,5-trimethoxybenzoate
SMILES [?]:
Cc1cccc(c1C)OCC(=O)NN=Cc2ccccc2OC(=O)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C27H28N2O7/c1-17-9-8-12-21(18(17)2)35-16-25(30)29-28-15-19-10-6-7-11-22(19)36-27(31)20-13-23(32-3)26(34-5)24(14-20)33-4/h6-15H,16H2,1-5H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,8,32,36,34,18,19,4,3,17,20,5,30,26,15,10,2,7,16,25,6,21,29,27,11,28,23,14,13,12,24,31,35,33,9,22/E:(3,4)(13,14)(23,24)(32,33)/rA:36nCCCCCCCCOCCONNCCCCCCCOCOCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;s31;s28;s33;s27;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28N2O7
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:8.61411
Area:756.629
Solvation:-10.3016
Coulombic:-66.7398
Bond Count [?]
All:38
Single:26
Double:12
Rotors:12
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:492.521
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:5.18
LogP (Chemaxon):4.42

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Descriptor Annotations

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