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Chemical ID: 7142275

CC(=O)c1cccc(c1)N2C(=O)C(=Cc3cc(c(c(c3)OC)O)OC)SC2=S

Chemical ID:

7142275

Name [?]:

3-(3-acetylphenyl)-5-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one

SMILES [?]:

CC(=O)c1cccc(c1)N2C(=O)C(=Cc3cc(c(c(c3)OC)O)OC)SC2=S

InChi [?]:

InChI=1/C20H17NO5S2/c1-11(22)13-5-4-6-14(10-13)21-19(24)17(28-20(21)27)9-12-7-15(25-2)18(23)16(8-12)26-3/h4-10,23H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,22,25,6,5,7,20,16,14,9,2,15,4,8,19,17,13,18,11,27,10,3,23,12,21,24,28,26/E:(2,3)(7,8)(15,16)(25,26)/rA:28nCCOCCCCCCNCOCCCCCCCCOCOOCSCS/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s17;s24;s13;s10s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₇NO₅S₂
All Atoms:	45
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	8.18916
Area:	605.719
Solvation:	-6.9538
Coulombic:	-55.7839

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.66
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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