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Chemical ID: 5604184
Chemical ID:
5604184
Name [?]:
2-(4-benzyloxyphenoxy)-N-[(3-methoxyphenyl)methyleneamino]acetamide
SMILES [?]:
COc1cccc(c1)C=NNC(=O)COc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C23H22N2O4/c1-27-22-9-5-8-19(14-22)15-24-25-23(26)17-29-21-12-10-20(11-13-21)28-16-18-6-3-2-4-7-18/h2-15H,16-17H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,26,28,5,25,29,6,4,18,20,17,21,8,9,23,14,24,7,19,16,3,12,10,11,13,2,22,15/E:(3,4)(6,7)(10,11)(12,13)/rA:29nCOCCCCCCCNNCOCOCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.14242 |
Area: | 655.961 |
Solvation: | -8.25661 |
Coulombic: | -41.3923 |
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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