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Chemical ID: 6882156

Cc1c(cccc1Cl)NC(=O)C=Cc2ccc(c(c2)OC)OCc3c(cccc3Cl)Cl

Chemical ID:

6882156

Name [?]:

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

SMILES [?]:

Cc1c(cccc1Cl)NC(=O)C=Cc2ccc(c(c2)OC)OCc3c(cccc3Cl)Cl

InChi [?]:

InChI=1/C24H20Cl3NO3/c1-15-18(25)5-4-8-21(15)28-24(29)12-10-16-9-11-22(23(13-16)30-2)31-14-17-19(26)6-3-7-20(17)27/h3-13H,14H2,1-2H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,21,27,5,6,26,28,4,15,13,16,12,19,23,2,14,24,7,25,29,3,17,18,10,8,31,30,9,11,20,22/E:(6,7)(19,20)(26,27)/rA:31nCCCCCCCClNCOCCCCCCCCOCOCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s23;s24;d25;s26;d27;d24s28;s29;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀Cl₃NO₃
All Atoms:	51
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7316
Area:	693.23
Solvation:	-5.59911
Coulombic:	-38.5255

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	476.779
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.63
LogP (Chemaxon):	6.34

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

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

Chemical Mix	Source	External ID	Descriptor	Value