Chemical ID: 6966753

COc1ccc(cc1Br)C(=O)NN=Cc2ccccc2OCc3ccccc3
Chemical ID:
6966753
Name [?]:
N-[(2-benzyloxyphenyl)methyleneamino]-3-bromo-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1Br)C(=O)NN=Cc2ccccc2OCc3ccccc3
InChi [?]:
InChI=1/C22H19BrN2O3/c1-27-21-12-11-17(13-19(21)23)22(26)25-24-14-18-9-5-6-10-20(18)28-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,17,18,24,28,16,19,5,4,7,14,22,23,6,15,8,20,3,10,9,13,12,11,2,21/E:(3,4)(7,8)/rA:28nCOCCCCCCBrCONNCCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19BrN2O3
All Atoms:47
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.2054
Area:612.208
Solvation:-7.09981
Coulombic:-34.2668
Bond Count [?]
All:30
Single:19
Double:11
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:439.302
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.33
LogP (Chemaxon):5.31

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