Chemical ID: 6627780

Cc1ccc(c(c1)OCC(=O)NN=Cc2cccc(c2)OCc3ccccc3)C(C)C
Chemical ID:
6627780
Name [?]:
N-[(3-benzyloxyphenyl)methyleneamino]-2-(2-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)NN=Cc2cccc(c2)OCc3ccccc3)C(C)C
InChi [?]:
InChI=1/C26H28N2O3/c1-19(2)24-13-12-20(3)14-25(24)31-18-26(29)28-27-16-22-10-7-11-23(15-22)30-17-21-8-5-4-6-9-21/h4-16,19H,17-18H2,1-3H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:30,31,1,26,25,27,17,24,28,16,18,3,4,7,20,14,22,9,29,2,23,15,19,5,6,10,13,12,11,21,8/E:(1,2)(5,6)(8,9)/rA:31nCCCCCCCOCCONNCCCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;s23;d24;s25;d26;d23s27;s5;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28N2O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.6315
Area:703.065
Solvation:-6.94512
Coulombic:-35.7493
Bond Count [?]
All:33
Single:22
Double:11
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:416.512
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.93
LogP (Chemaxon):6.2

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Descriptor Annotations

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