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Chemical ID: 7479305
Chemical ID:
7479305
Name [?]:
4-benzyloxy-N-(1-phenylethylideneamino)benzamide
SMILES [?]:
CC(=NNC(=O)c1ccc(cc1)OCc2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C22H20N2O2/c1-17(19-10-6-3-7-11-19)23-24-22(25)20-12-14-21(15-13-20)26-16-18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,18,24,17,19,23,25,16,20,22,26,8,12,9,11,14,2,15,21,7,10,5,3,4,6,13/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26nCCNNCOCCCCCCOCCCCCCCCCCCCC/rB:s1;w2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;s14;s15;d16;s17;d18;d15s19;s2;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O2 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3823 |
Area: | 600.389 |
Solvation: | -4.62745 |
Coulombic: | -29.9285 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 344.406 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.76 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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