Chemical ID: 6406609

c1ccc(cc1)COc2ccccc2C=NNC(=O)c3ccc(cc3)Br
Chemical ID:
6406609
Name [?]:
N-[(2-benzyloxyphenyl)methyleneamino]-4-bromo-benzamide
SMILES [?]:
c1ccc(cc1)COc2ccccc2C=NNC(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C21H17BrN2O2/c22-19-12-10-17(11-13-19)21(25)24-23-14-18-8-4-5-9-20(18)26-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,3,5,13,10,21,25,22,24,15,7,4,20,14,23,9,18,26,16,17,19,8/E:(2,3)(6,7)(10,11)(12,13)/rA:26nCCCCCCCOCCCCCCCNNCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;w15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17BrN2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.7496
Area:595.913
Solvation:-4.14824
Coulombic:-30.6042
Bond Count [?]
All:28
Single:17
Double:11
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:409.276
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.42
LogP (Chemaxon):5.56

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