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Chemical ID: 6925311
Chemical ID:
6925311
Name [?]:
N-[1-(4-benzyloxy-3-methoxy-phenyl)ethylideneamino]-2-(4-ethylphenoxy)-acetamide
SMILES [?]:
CCc1ccc(cc1)OCC(=O)NN=C(C)c2ccc(c(c2)OC)OCc3ccccc3
InChi [?]:
InChI=1/C26H28N2O4/c1-4-20-10-13-23(14-11-20)31-18-26(29)28-27-19(2)22-12-15-24(25(16-22)30-3)32-17-21-8-6-5-7-9-21/h5-16H,4,17-18H2,1-3H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,16,24,2,30,29,31,28,32,4,8,18,5,7,19,22,26,10,15,3,27,17,6,20,21,11,14,13,12,23,9,25/E:(6,7)(8,9)(10,11)(13,14)/rA:32nCCCCCCCCOCCONNCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O4 |
All Atoms: | 60 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0902 |
Area: | 724.639 |
Solvation: | -9.02579 |
Coulombic: | -41.5945 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 432.512 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.99 |
LogP (Chemaxon): | 4.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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