Chemical ID: 5794228

CCOc1ccc(cc1C=NNC(=O)COc2ccc(cc2)OCc3ccccc3)Br
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

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Descriptor Annotations

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