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Chemical ID: 4136827

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3cccc(c3)Cl

Chemical ID:

4136827

Name [?]:

2-(3-chlorophenoxy)-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyleneamino]propanamide

SMILES [?]:

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3cccc(c3)Cl

InChi [?]:

InChI=1/C25H24Cl2N2O4/c1-3-31-24-13-19(9-12-23(24)32-16-18-7-10-20(26)11-8-18)15-28-29-25(30)17(2)33-22-6-4-5-21(27)14-22/h4-15,17H,3,16H2,1-2H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,25,2,29,30,28,13,17,7,14,16,8,5,32,19,11,24,12,6,15,31,27,9,4,22,18,33,20,21,23,3,10,26/E:(7,8)(10,11)/rA:33cCCOCCCCCCOCCCCCCCClCNNCOCCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;s21;d22;s22;s24;s24;s26;s27;d28;s29;d30;d27s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄Cl₂N₂O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	10.2754
Area:	757.152
Solvation:	-8.65342
Coulombic:	-42.6871

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	487.375
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	7.14
LogP (Chemaxon):	6.2

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