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Chemical ID: 7144172

Chemical ID:

7144172

Name [?]:

5-[3-(2-furyl)prop-2-enylidene]-3-(4-methoxyphenyl)-thiazolidine-2,4-dione

SMILES [?]:

COc1ccc(cc1)N2C(=O)C(=CC=Cc3ccco3)SC2=O

InChi [?]:

InChI=1/C17H13NO4S/c1-21-13-9-7-12(8-10-13)18-16(19)15(23-17(18)20)6-2-4-14-5-3-11-22-14/h2-11H,1H3

InChi Info:

AuxInfo=1/0/N:1,14,18,15,17,13,5,7,4,8,19,6,3,16,12,10,22,9,11,23,2,20,21/E:(7,8)(9,10)/rA:23nCOCCCCCCNCOCCCCCCCCOSCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;w12;s13;w14;s15;d16;s17;d18;s16s19;s12;s9s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₃NO₄S
All Atoms:	36
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.75772
Area:	537.047
Solvation:	-4.66844
Coulombic:	-41.8782

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	4
Chiral:	2
Rigid Segments:	5

Chemical Properties

Molecular Weight:	327.355
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	2.03
LogP (Chemaxon):	2.98

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value