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Chemical ID: 6984732

c1ccc(cc1)COc2ccccc2C=NNC(=O)COc3ccc(cc3Cl)Br

Chemical ID:

6984732

Name [?]:

N-[(2-benzyloxyphenyl)methyleneamino]-2-(4-bromo-2-chloro-phenoxy)-acetamide

SMILES [?]:

c1ccc(cc1)COc2ccccc2C=NNC(=O)COc3ccc(cc3Cl)Br

InChi [?]:

InChI=1/C22H18BrClN2O3/c23-18-10-11-21(19(24)12-18)29-15-22(27)26-25-13-17-8-4-5-9-20(17)28-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,2,6,12,11,3,5,13,10,24,23,26,15,7,20,4,14,25,27,9,22,18,29,28,16,17,19,8,21/E:(2,3)(6,7)/rA:29nCCCCCCCOCCCCCCCNNCOCOCCCCCCClBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;w15;s16;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈BrClN₂O₃
All Atoms:	47
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	7.66802
Area:	649.953
Solvation:	-8.58081
Coulombic:	-33.0059

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	473.747
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.72
LogP (Chemaxon):	5.85

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