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Chemical ID: 6882034

COc1cc(ccc1OCc2c(cccc2Cl)Cl)C=CC(=O)Nc3ccccc3Cl

Chemical ID:

6882034

Name [?]:

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

SMILES [?]:

COc1cc(ccc1OCc2c(cccc2Cl)Cl)C=CC(=O)Nc3ccccc3Cl

InChi [?]:

InChI=1/C23H18Cl3NO3/c1-29-22-13-15(10-12-23(28)27-20-8-3-2-5-19(20)26)9-11-21(22)30-14-16-17(24)6-4-7-18(16)25/h2-13H,14H2,1H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,27,26,14,28,13,15,25,6,19,7,20,4,10,5,11,12,16,29,24,8,3,21,18,17,30,23,22,2,9/E:(6,7)(17,18)(24,25)/rA:30nCOCCCCCCOCCCCCCCClClCCCONCCCCCCCl/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₈Cl₃NO₃
All Atoms:	48
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3837
Area:	672.185
Solvation:	-5.42095
Coulombic:	-39.1756

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	462.752
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.4
LogP (Chemaxon):	5.87

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