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Chemical ID: 6881597

COc1cc(ccc1OCc2c(cccc2Cl)Cl)C=CC(=O)Nc3ccccc3

Chemical ID:

6881597

Name [?]:

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

SMILES [?]:

COc1cc(ccc1OCc2c(cccc2Cl)Cl)C=CC(=O)Nc3ccccc3

InChi [?]:

InChI=1/C23H19Cl2NO3/c1-28-22-14-16(11-13-23(27)26-17-6-3-2-4-7-17)10-12-21(22)29-15-18-19(24)8-5-9-20(18)25/h2-14H,15H2,1H3,(H,26,27)

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₂₃H₁₉Cl₂NO₃
All Atoms:	48
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3502
Area:	643.578
Solvation:	-5.73923
Coulombic:	-38.3402

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	428.307
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.78
LogP (Chemaxon):	6.0

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