Chemical ID: 6621098

c1ccc(cc1)COc2ccc(cc2C(=O)NN=Cc3ccccc3)Br
Chemical ID:
6621098
Name [?]:
N-benzylideneamino-2-benzyloxy-5-bromo-benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2C(=O)NN=Cc3ccccc3)Br
InChi [?]:
InChI=1/C21H17BrN2O2/c22-18-11-12-20(26-15-17-9-5-2-6-10-17)19(13-18)21(25)24-23-14-16-7-3-1-4-8-16/h1-14H,15H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:23,1,22,24,2,6,21,25,3,5,11,10,13,19,7,20,4,12,14,9,15,26,18,17,16,8/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCCCCCOCCCCCCCONNCCCCCCCBr/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;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17BrN2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.26737
Area:582.534
Solvation:-5.29597
Coulombic:-28.3621
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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