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Chemical ID: 7470371
Chemical ID:
7470371
Name [?]:
2-(4-methylphenoxy)-N-[(4-phenylphenyl)methyleneamino]acetamide
SMILES [?]:
Cc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C22H20N2O2/c1-17-7-13-21(14-8-17)26-16-22(25)24-23-15-18-9-11-20(12-10-18)19-5-3-2-4-6-19/h2-15H,16H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,26,3,7,16,20,17,19,4,6,14,9,2,15,21,18,5,10,13,12,11,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:26nCCCCCCCOCCONNCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O2 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17684 |
Area: | 602.344 |
Solvation: | -5.88176 |
Coulombic: | -28.1881 |
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: | 6.05 |
LogP (Chemaxon): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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