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Chemical ID: 7470332
Chemical ID:
7470332
Name [?]:
2-(2,4-dimethylphenoxy)-N-[(4-phenylphenyl)methyleneamino]acetamide
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)NN=Cc2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C23H22N2O2/c1-17-8-13-22(18(2)14-17)27-16-23(26)25-24-15-19-9-11-21(12-10-19)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,8,25,24,26,23,27,3,17,21,18,20,4,7,15,10,2,6,16,22,19,5,11,14,13,12,9/E:(4,5)(6,7)(9,10)(11,12)/rA:27nCCCCCCCCOCCONNCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O2 |
All Atoms: | 49 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.78698 |
Area: | 623.648 |
Solvation: | -5.80423 |
Coulombic: | -28.1311 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 358.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.28 |
LogP (Chemaxon): | 5.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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