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Chemical ID: 7141701

Cc1ccc(c(c1)N2C(=O)C(=Cc3ccccc3OCc4ccc(cc4)Cl)SC2=S)C

Chemical ID:

7141701

Name [?]:

5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylene]-3-(2,5-dimethylphenyl)-2-thioxo-thiazolidin-4-one

SMILES [?]:

Cc1ccc(c(c1)N2C(=O)C(=Cc3ccccc3OCc4ccc(cc4)Cl)SC2=S)C

InChi [?]:

InChI=1/C25H20ClNO2S2/c1-16-7-8-17(2)21(13-16)27-24(28)23(31-25(27)30)14-19-5-3-4-6-22(19)29-15-18-9-11-20(26)12-10-18/h3-14H,15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,31,15,16,14,17,3,4,22,26,23,25,7,12,20,2,5,21,13,24,6,18,11,9,29,27,8,10,19,30,28/E:(9,10)(11,12)/rA:31nCCCCCCCNCOCCCCCCCCOCCCCCCCClSCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;s21;d22;s23;d24;d21s25;s24;s11;s8s28;d29;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₀ClNO₂S₂
All Atoms:	51
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	14.3173
Area:	695.659
Solvation:	-3.07414
Coulombic:	-29.9209

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.3
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

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