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Chemical ID: 5794228
Chemical ID:
5794228
Name [?]:
2-(4-benzyloxyphenoxy)-N-[(5-bromo-2-ethoxy-phenyl)methyleneamino]acetamide
SMILES [?]:
CCOc1ccc(cc1C=NNC(=O)COc2ccc(cc2)OCc3ccccc3)Br
InChi [?]:
InChI=1/C24H23BrN2O4/c1-2-29-23-13-8-20(25)14-19(23)15-26-27-24(28)17-31-22-11-9-21(10-12-22)30-16-18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,28,27,29,26,30,6,19,21,18,22,5,8,10,24,15,25,9,7,20,17,4,13,31,11,12,14,3,23,16/E:(4,5)(6,7)(9,10)(11,12)/rA:31nCCOCCCCCCCNNCOCOCCCCCCOCCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;d25s29;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23BrN2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.83828 |
Area: | 705.497 |
Solvation: | -7.79915 |
Coulombic: | -41.9516 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 483.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.44 |
LogP (Chemaxon): | 5.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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