Chemical ID: 6410454

c1ccc(cc1)C(=O)NN=Cc2ccccc2OCc3cccc(c3)Br
Chemical ID:
6410454
Name [?]:
N-[[2-[(3-bromophenyl)methoxy]phenyl]methyleneamino]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)NN=Cc2ccccc2OCc3cccc(c3)Br
InChi [?]:
InChI=1/C21H17BrN2O2/c22-19-11-6-7-16(13-19)15-26-20-12-5-4-10-18(20)14-23-24-21(25)17-8-2-1-3-9-17/h1-14H,15H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,22,21,3,5,13,23,16,25,11,19,20,4,12,24,17,7,26,10,9,8,18/E:(2,3)(8,9)/rA:26nCCCCCCCONNCCCCCCCOCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17BrN2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.6627
Area:590.851
Solvation:-4.10861
Coulombic:-30.6506
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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