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Chemical ID: 6628687

Cc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl

Chemical ID:

6628687

Name [?]:

N-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyleneamino]-2-(4-methylphenoxy)-acetamide

SMILES [?]:

Cc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl

InChi [?]:

InChI=1/C24H23ClN2O4/c1-17-3-10-21(11-4-17)30-16-24(28)27-26-14-19-7-12-22(23(13-19)29-2)31-15-18-5-8-20(25)9-6-18/h3-14H,15-16H2,1-2H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,22,3,7,26,30,16,27,29,4,6,17,20,14,24,9,2,25,15,28,5,18,19,10,31,13,12,11,21,8,23/E:(3,4)(5,6)(8,9)(10,11)/rA:31nCCCCCCCOCCONNCCCCCCCOCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃ClN₂O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	8.40431
Area:	709.533
Solvation:	-9.334
Coulombic:	-40.9677

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	438.903
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.01
LogP (Chemaxon):	5.27

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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