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Chemical ID: 6154784

CCc1cccc(c1NC(=O)C=Cc2ccc(c(c2)OC)OCc3c(cccc3Cl)Cl)CC

Chemical ID:

6154784

Name [?]:

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

SMILES [?]:

CCc1cccc(c1NC(=O)C=Cc2ccc(c(c2)OC)OCc3c(cccc3Cl)Cl)CC

InChi [?]:

InChI=1/C27H27Cl2NO3/c1-4-19-8-6-9-20(5-2)27(19)30-26(31)15-13-18-12-14-24(25(16-18)32-3)33-17-21-22(28)10-7-11-23(21)29/h6-16H,4-5,17H2,1-3H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,33,21,2,32,5,27,4,6,26,28,15,13,16,12,19,23,14,3,7,24,25,29,17,18,10,8,31,30,9,11,20,22/E:(1,2)(4,5)(8,9)(10,11)(19,20)(22,23)(28,29)/rA:33nCCCCCCCCNCOCCCCCCCCOCOCCCCCCCClClCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s23;s24;d25;s26;d27;d24s28;s29;s25;s7;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₇Cl₂NO₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7524
Area:	707.917
Solvation:	-5.9455
Coulombic:	-38.4742

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	10
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	484.414
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	7.16
LogP (Chemaxon):	6.43

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