Chemical ID: 6621128

COc1ccc(cc1C(=O)NN=Cc2ccccc2)Br
Chemical ID:
6621128
Name [?]:
N-benzylideneamino-5-bromo-2-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1C(=O)NN=Cc2ccccc2)Br
InChi [?]:
InChI=1/C15H13BrN2O2/c1-20-14-8-7-12(16)9-13(14)15(19)18-17-10-11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,5,4,7,13,14,6,8,3,9,20,12,11,10,2/E:(3,4)(5,6)/rA:20nCOCCCCCCCONNCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrN2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.81358
Area:468.818
Solvation:-4.90686
Coulombic:-26.4097
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:333.18
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.71
LogP (Chemaxon):3.78

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