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Chemical ID: 6406464
Chemical ID:
6406464
Name [?]:
2-(2-allylphenoxy)-N-[(4-benzyloxyphenyl)methyleneamino]acetamide
SMILES [?]:
C=CCc1ccccc1OCC(=O)NN=Cc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C25H24N2O3/c1-2-8-22-11-6-7-12-24(22)30-19-25(28)27-26-17-20-13-15-23(16-14-20)29-18-21-9-4-3-5-10-21/h2-7,9-17H,1,8,18-19H2,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,28,27,29,6,7,3,26,30,5,8,18,22,19,21,16,24,11,17,25,4,20,9,12,15,14,13,23,10/E:(4,5)(9,10)(13,14)(15,16)/rA:30nCCCCCCCCCOCCONNCCCCCCCOCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N2O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86395 |
Area: | 677.982 |
Solvation: | -7.08559 |
Coulombic: | -36.934 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 400.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.38 |
LogP (Chemaxon): | 5.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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