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Chemical ID: 6882042

COc1cc(ccc1OCc2c(cccc2Cl)Cl)C=CC(=O)Nc3ccc(cc3Cl)Cl

Chemical ID:

6882042

Name [?]:

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

SMILES [?]:

COc1cc(ccc1OCc2c(cccc2Cl)Cl)C=CC(=O)Nc3ccc(cc3Cl)Cl

InChi [?]:

InChI=1/C23H17Cl4NO3/c1-30-22-11-14(6-10-23(29)28-20-8-7-15(24)12-19(20)27)5-9-21(22)31-13-16-17(25)3-2-4-18(16)26/h2-12H,13H2,1H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,14,13,15,6,19,26,25,7,20,4,28,10,5,27,11,12,16,29,24,8,3,21,31,18,17,30,23,22,2,9/E:(3,4)(17,18)(25,26)/rA:31nCOCCCCCCOCCCCCCCClClCCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s12;s5;w19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₇Cl₄NO₃
All Atoms:	48
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2585
Area:	707.42
Solvation:	-5.42701
Coulombic:	-38.9308

Bond Count [?]

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

Chemical Properties

Molecular Weight:	497.197
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	7.02
LogP (Chemaxon):	6.39

Name Annotations

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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