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Chemical ID: 4148499

COc1cccc(c1)NC(=O)C=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl

Chemical ID:

4148499

Name [?]:

3-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-N-(3-methoxyphenyl)-prop-2-enamide

SMILES [?]:

COc1cccc(c1)NC(=O)C=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl

InChi [?]:

InChI=1/C24H22ClNO4/c1-28-21-5-3-4-20(15-21)26-24(27)13-9-17-8-12-22(23(14-17)29-2)30-16-18-6-10-19(25)11-7-18/h3-15H,16H2,1-2H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,21,5,6,4,25,29,15,13,26,28,16,12,19,8,23,14,24,27,7,3,17,18,10,30,9,11,2,20,22/E:(6,7)(10,11)/rA:30nCOCCCCCCNCOCCCCCCCCOCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂ClNO₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	9.3451
Area:	669.263
Solvation:	-7.38648
Coulombic:	-44.3077

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	9
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	423.889
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.07
LogP (Chemaxon):	5.23

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