Chemical ID: 7484152

c1ccc(cc1)COc2ccccc2C(=O)NN=Cc3ccc(cc3)Br
Chemical ID:
7484152
Name [?]:
2-benzyloxy-N-[(4-bromophenyl)methyleneamino]benzamide
SMILES [?]:
c1ccc(cc1)COc2ccccc2C(=O)NN=Cc3ccc(cc3)Br
InChi [?]:
InChI=1/C21H17BrN2O2/c22-18-12-10-16(11-13-18)14-23-24-21(25)19-8-4-5-9-20(19)26-15-17-6-2-1-3-7-17/h1-14H,15H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,3,5,13,10,21,25,22,24,19,7,20,4,23,14,9,15,26,18,17,16,8/E:(2,3)(6,7)(10,11)(12,13)/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;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17BrN2O2
All Atoms:43
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.54928
Area:603.662
Solvation:-5.54228
Coulombic:-28.6635
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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