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Chemical ID: 5794339

COc1ccc(cc1C=NNC(=O)c2ccc(cc2)OCc3ccccc3)Br

Chemical ID:

5794339

Name [?]:

4-benzyloxy-N-[(5-bromo-2-methoxy-phenyl)methyleneamino]benzamide

SMILES [?]:

COc1ccc(cc1C=NNC(=O)c2ccc(cc2)OCc3ccccc3)Br

InChi [?]:

InChI=1/C22H19BrN2O3/c1-27-21-12-9-19(23)13-18(21)14-24-25-22(26)17-7-10-20(11-8-17)28-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,25,24,26,23,27,15,19,5,16,18,4,7,9,21,22,14,8,6,17,3,12,28,10,11,13,2,20/E:(3,4)(5,6)(7,8)(10,11)/rA:28nCOCCCCCCCNNCOCCCCCCOCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;d23;s24;d25;d22s26;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉BrN₂O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	9.99868
Area:	619.654
Solvation:	-5.49266
Coulombic:	-36.3598

Bond Count [?]

All:	30
Single:	19
Double:	11
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	439.302
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.33
LogP (Chemaxon):	5.31

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value