Chemical ID: 6621143

COc1ccc(cc1)C=NNC(=O)c2cc(ccc2OC)Br
Chemical ID:
6621143
Name [?]:
5-bromo-2-methoxy-N-[(4-methoxyphenyl)methyleneamino]benzamide
SMILES [?]:
COc1ccc(cc1)C=NNC(=O)c2cc(ccc2OC)Br
InChi [?]:
InChI=1/C16H15BrN2O3/c1-21-13-6-3-11(4-7-13)10-18-19-16(20)14-9-12(17)5-8-15(14)22-2/h3-10H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,5,7,17,4,8,18,15,9,6,16,3,14,19,12,22,10,11,13,2,20/E:(3,4)(6,7)/rA:22nCOCCCCCCCNNCOCCCCCCOCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15BrN2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.32478
Area:506.694
Solvation:-6.34257
Coulombic:-32.4862
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:363.206
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.62
LogP (Chemaxon):3.53

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