Chemical ID: 6621254

c1ccc(cc1)COc2ccc(cc2C(=O)NN=Cc3ccccc3O)Br
Chemical ID:
6621254
Name [?]:
2-benzyloxy-5-bromo-N-[(2-hydroxyphenyl)methyleneamino]benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2C(=O)NN=Cc3ccccc3O)Br
InChi [?]:
InChI=1/C21H17BrN2O3/c22-17-10-11-20(27-14-15-6-2-1-3-7-15)18(12-17)21(26)24-23-13-16-8-4-5-9-19(16)25/h1-13,25H,14H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,23,3,5,21,24,11,10,13,19,7,4,20,12,14,25,9,15,27,18,17,26,16,8/E:(2,3)(6,7)/rA:27nCCCCCCCOCCCCCCCONNCCCCCCCOBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s25;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17BrN2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.71196
Area:593.759
Solvation:-6.13201
Coulombic:-43.6624
Bond Count [?]
All:29
Single:18
Double:11
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:425.275
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.01
LogP (Chemaxon):5.27

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