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Chemical ID: 6882014

CCOc1ccc(cc1)NC(=O)C=Cc2ccc(c(c2)OC)OCc3c(cccc3Cl)Cl

Chemical ID:

6882014

Name [?]:

3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxy-phenyl]-N-(4-ethoxyphenyl)-prop-2-enamide

SMILES [?]:

CCOc1ccc(cc1)NC(=O)C=Cc2ccc(c(c2)OC)OCc3c(cccc3Cl)Cl

InChi [?]:

InChI=1/C25H23Cl2NO4/c1-3-31-19-11-9-18(10-12-19)28-25(29)14-8-17-7-13-23(24(15-17)30-2)32-16-20-21(26)5-4-6-22(20)27/h4-15H,3,16H2,1-2H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,22,2,28,27,29,16,14,6,8,5,9,17,13,20,24,15,7,4,25,26,30,18,19,11,32,31,10,12,21,3,23/E:(5,6)(9,10)(11,12)(21,22)(26,27)/rA:32nCCOCCCCCCNCOCCCCCCCCOCOCCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s24;s25;d26;s27;d28;d25s29;s30;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₃Cl₂NO₄
All Atoms:	55
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6415
Area:	710.289
Solvation:	-7.11571
Coulombic:	-44.5814

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	472.36
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.12
LogP (Chemaxon):	6.09

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