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Chemical ID: 6644320
Chemical ID:
6644320
Name [?]:
2-(4-benzyloxyphenoxy)-N-[(4-butoxyphenyl)methyleneamino]acetamide
SMILES [?]:
CCCCOc1ccc(cc1)C=NNC(=O)COc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C26H28N2O4/c1-2-3-17-30-23-11-9-21(10-12-23)18-27-28-26(29)20-32-25-15-13-24(14-16-25)31-19-22-7-5-4-6-8-22/h4-16,18H,2-3,17,19-20H2,1H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,3,30,29,31,28,32,8,10,7,11,21,23,20,24,4,12,26,17,9,27,6,22,19,15,13,14,16,5,25,18/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:32nCCCCOCCCCCCCNNCOCOCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1969 |
Area: | 736.596 |
Solvation: | -8.21798 |
Coulombic: | -42.3576 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 432.512 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.57 |
LogP (Chemaxon): | 5.5 |
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
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Chemical Mix | Source | External ID | Descriptor | Value |
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