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Chemical ID: 7479270
Chemical ID:
7479270
Name [?]:
4-benzyloxy-N-[(2-ethoxyphenyl)methyleneamino]benzamide
SMILES [?]:
CCOc1ccccc1C=NNC(=O)c2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C23H22N2O3/c1-2-27-22-11-7-6-10-20(22)16-24-25-23(26)19-12-14-21(15-13-19)28-17-18-8-4-3-5-9-18/h3-16H,2,17H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,7,6,24,28,8,5,16,20,17,19,10,22,23,15,9,18,4,13,11,12,14,3,21/E:(4,5)(8,9)(12,13)(14,15)/rA:28nCCOCCCCCCCNNCOCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;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: | 8.83182 |
Area: | 625.683 |
Solvation: | -6.81025 |
Coulombic: | -35.0148 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.96 |
LogP (Chemaxon): | 4.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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