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Chemical ID: 7140743

Chemical ID:

7140743

Name [?]:

5-[(5-methyl-2-furyl)methylene]-2-(p-tolylimino)thiazolidin-4-one

SMILES [?]:

Cc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)C)S2

InChi [?]:

InChI=1/C16H14N2O2S/c1-10-3-6-12(7-4-10)17-16-18-15(19)14(21-16)9-13-8-5-11(2)20-13/h3-9H,1-2H3,(H,17,18,19)

InChi Info:

AuxInfo=1/1/N:1,20,3,7,17,4,6,16,14,2,18,5,15,13,11,9,8,10,12,19,21/E:(3,4)(6,7)/rA:21nCCCCCCCNCNCOCCCCCCOCS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄N₂O₂S
All Atoms:	35
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.7233
Area:	483.058
Solvation:	-3.35314
Coulombic:	-33.1973

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	2
Chiral:	2
Rigid Segments:	3

Chemical Properties

Molecular Weight:	298.361
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.47
LogP (Chemaxon):	3.78

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