Chemical ID: 6433321

CCOc1ccc(cc1C=NNC(=O)c2ccccc2OCc3ccccc3)Br
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

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