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Chemical ID: 6172210

COc1cc(ccc1OCc2c(cccc2Cl)Cl)C=NNC(=O)C(=O)Nc3ccccc3F

Chemical ID:

6172210

Name [?]:

N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxy-phenyl]methyleneamino]-N'-(2-fluorophenyl)-oxamide

SMILES [?]:

COc1cc(ccc1OCc2c(cccc2Cl)Cl)C=NNC(=O)C(=O)Nc3ccccc3F

InChi [?]:

InChI=1/C23H18Cl2FN3O4/c1-32-21-11-14(9-10-20(21)33-13-15-16(24)5-4-6-17(15)25)12-27-29-23(31)22(30)28-19-8-3-2-7-18(19)26/h2-12H,13H2,1H3,(H,28,30)(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,30,29,14,13,15,31,28,6,7,4,19,10,5,11,12,16,32,27,8,3,24,22,18,17,33,20,26,21,25,23,2,9/E:(5,6)(16,17)(24,25)/rA:33nCOCCCCCCOCCCCCCCClClCNNCOCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s12;s5;w19;s20;s21;d22;s22;d24;s24;s26;s27;d28;s29;d30;d27s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₈Cl₂FN₃O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6864
Area:	713.501
Solvation:	-7.15117
Coulombic:	-64.0701

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	490.311
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.7
LogP (Chemaxon):	4.78

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