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Chemical ID: 7142246

CCc1ccccc1N2C(=O)C(=Cc3ccc(c(c3OC)OC)OC)SC2=S

Chemical ID:

7142246

Name [?]:

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

SMILES [?]:

CCc1ccccc1N2C(=O)C(=Cc3ccc(c(c3OC)OC)OC)SC2=S

InChi [?]:

InChI=1/C21H21NO4S2/c1-5-13-8-6-7-9-15(13)22-20(23)17(28-21(22)27)12-14-10-11-16(24-2)19(26-4)18(14)25-3/h6-12H,5H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,25,21,23,2,5,6,4,7,15,16,13,3,14,8,17,12,19,18,10,27,9,11,24,20,22,28,26/rA:28nCCCCCCCCNCOCCCCCCCCOCOCOCSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s18;s22;s17;s24;s12;s9s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₁NO₄S₂
All Atoms:	49
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	9.93742
Area:	605.804
Solvation:	-5.20767
Coulombic:	-42.5635

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.43
LogP (Chemaxon):	None

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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