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Chemical ID: 6984889
Chemical ID:
6984889
Name [?]:
N-[(3-benzyloxyphenyl)methyleneamino]-2-(4-methoxyphenoxy)-acetamide
SMILES [?]:
COc1ccc(cc1)OCC(=O)NN=Cc2cccc(c2)OCc3ccccc3
InChi [?]:
InChI=1/C23H22N2O4/c1-27-20-10-12-21(13-11-20)29-17-23(26)25-24-15-19-8-5-9-22(14-19)28-16-18-6-3-2-4-7-18/h2-15H,16-17H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,26,28,18,25,29,17,19,4,8,5,7,21,15,23,10,24,16,3,6,20,11,14,13,12,2,22,9/E:(3,4)(6,7)(10,11)(12,13)/rA:29nCOCCCCCCOCCONNCCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O4 |
All Atoms: | 51 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.34958 |
Area: | 666.304 |
Solvation: | -8.30803 |
Coulombic: | -41.4454 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 390.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.22 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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