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Chemical ID: 4131360
Chemical ID:
4131360
Name [?]:
2-(4-benzyloxyphenoxy)-N-[(3-ethoxy-4-hydroxy-phenyl)methyleneamino]propanamide
SMILES [?]:
CCOc1cc(ccc1O)C=NNC(=O)C(C)Oc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C25H26N2O5/c1-3-30-24-15-20(9-14-23(24)28)16-26-27-25(29)18(2)32-22-12-10-21(11-13-22)31-17-19-7-5-4-6-8-19/h4-16,18,28H,3,17H2,1-2H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,17,2,30,29,31,28,32,7,21,23,20,24,8,5,11,26,16,27,6,22,19,9,4,14,12,13,10,15,3,25,18/E:(5,6)(7,8)(10,11)(12,13)/rA:32cCCOCCCCCCOCNNCOCCOCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O5 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.55607 |
Area: | 702.997 |
Solvation: | -9.01886 |
Coulombic: | -57.987 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 434.484 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 5.76 |
LogP (Chemaxon): | 4.88 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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