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Chemical ID: 7484168
Chemical ID:
7484168
Name [?]:
2-benzyloxy-N-[(4-hydroxy-3-methoxy-phenyl)methyleneamino]benzamide
SMILES [?]:
COc1cc(ccc1O)C=NNC(=O)c2ccccc2OCc3ccccc3
InChi [?]:
InChI=1/C22H20N2O4/c1-27-21-13-17(11-12-19(21)25)14-23-24-22(26)18-9-5-6-10-20(18)28-15-16-7-3-2-4-8-16/h2-14,25H,15H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,17,18,24,28,16,19,6,7,4,10,22,23,5,15,8,20,3,13,11,12,9,14,2,21/E:(3,4)(7,8)/rA:28nCOCCCCCCOCNNCOCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O4 |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.4631 |
Area: | 627.665 |
Solvation: | -8.22852 |
Coulombic: | -50.2939 |
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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