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Chemical ID: 7144171

Chemical ID:

7144171

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)N2C(=O)C(=CC=Cc3ccco3)SC2=O

InChi [?]:

InChI=1/C17H13NO3S/c1-12-7-9-13(10-8-12)18-16(19)15(22-17(18)20)6-2-4-14-5-3-11-21-14/h2-11H,1H3

InChi Info:

AuxInfo=1/0/N:1,13,17,14,16,12,3,7,4,6,18,2,5,15,11,9,21,8,10,22,19,20/E:(7,8)(9,10)/rA:22nCCCCCCCNCOCCCCCCCCOSCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;w11;s12;w13;s14;d15;s16;d17;s15s18;s11;s8s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₃NO₃S
All Atoms:	35
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.70251
Area:	521.449
Solvation:	-3.33371
Coulombic:	-35.5875

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	3
Chiral:	2
Rigid Segments:	4

Chemical Properties

Molecular Weight:	311.356
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.55
LogP (Chemaxon):	3.7

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