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Chemical ID: 5827263

Chemical ID:

5827263

Name [?]:

3-(4-ethylphenyl)-5-[(2-methoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one

SMILES [?]:

CCc1ccc(cc1)N2C(=O)C(=Cc3ccccc3OC)SC2=S

InChi [?]:

InChI=1/C19H17NO2S2/c1-3-13-8-10-15(11-9-13)20-18(21)17(24-19(20)23)12-14-6-4-5-7-16(14)22-2/h4-12H,3H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,2,16,17,15,18,4,8,5,7,13,3,14,6,19,12,10,23,9,11,20,24,22/E:(8,9)(10,11)/rA:24nCCCCCCCCNCOCCCCCCCCOCSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s12;s9s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₇NO₂S₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1201
Area:	552.972
Solvation:	-2.70421
Coulombic:	-28.1246

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	4
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	355.476
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.21
LogP (Chemaxon):	5.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value