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Chemical ID: 4269530
Chemical ID:
4269530
Name [?]:
2-benzyloxy-N-[(2-hydroxy-5-methoxy-phenyl)methyleneamino]benzamide
SMILES [?]:
COc1ccc(c(c1)C=NNC(=O)c2ccccc2OCc3ccccc3)O
InChi [?]:
InChI=1/C22H20N2O4/c1-27-18-11-12-20(25)17(13-18)14-23-24-22(26)19-9-5-6-10-21(19)28-15-16-7-3-2-4-8-16/h2-14,25H,15H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,16,17,23,27,15,18,4,5,8,9,21,22,7,3,14,6,19,12,10,11,28,13,2,20/E:(3,4)(7,8)/rA:28nCOCCCCCCCNNCOCCCCCCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.72132 |
Area: | 601.093 |
Solvation: | -7.30599 |
Coulombic: | -50.3837 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 376.405 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.13 |
LogP (Chemaxon): | 4.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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