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Chemical ID: 6925278
Chemical ID:
6925278
Name [?]:
N-[1-(4-benzyloxyphenyl)ethylideneamino]-3-methoxy-benzamide
SMILES [?]:
CC(=NNC(=O)c1cccc(c1)OC)c2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C23H22N2O3/c1-17(24-25-23(26)20-9-6-10-22(15-20)27-2)19-11-13-21(14-12-19)28-16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,14,26,25,27,9,24,28,8,10,16,20,17,19,12,22,2,23,15,7,18,11,5,3,4,6,13,21/E:(4,5)(7,8)(11,12)(13,14)/rA:28nCCNNCOCCCCCCOCCCCCCCOCCCCCCC/rB:s1;w2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;s2;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O3 |
All Atoms: | 50 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91779 |
Area: | 638.187 |
Solvation: | -6.03689 |
Coulombic: | -35.9779 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.68 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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