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Chemical ID: 6433321
Chemical ID:
6433321
Name [?]:
2-benzyloxy-N-[(5-bromo-2-ethoxy-phenyl)methyleneamino]benzamide
SMILES [?]:
CCOc1ccc(cc1C=NNC(=O)c2ccccc2OCc3ccccc3)Br
InChi [?]:
InChI=1/C23H21BrN2O3/c1-2-28-21-13-12-19(24)14-18(21)15-25-26-23(27)20-10-6-7-11-22(20)29-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,17,18,24,28,16,19,6,5,8,10,22,23,9,7,15,4,20,13,29,11,12,14,3,21/E:(4,5)(8,9)/rA:29nCCOCCCCCCCNNCOCCCCCCOCCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;s22;s23;d24;s25;d26;d23s27;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21BrN2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.73555 |
Area: | 641.328 |
Solvation: | -6.29764 |
Coulombic: | -35.7114 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 453.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.75 |
LogP (Chemaxon): | 5.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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