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Chemical ID: 6467782

Cc1ccc(cc1)COc2ccc(cc2OC)C=C3C(=O)N(C(=O)S3)c4ccc(cc4)Cl

Chemical ID:

6467782

Name [?]:

3-(4-chlorophenyl)-5-[[3-methoxy-4-(p-tolylmethoxy)phenyl]methylene]thiazolidine-2,4-dione

SMILES [?]:

Cc1ccc(cc1)COc2ccc(cc2OC)C=C3C(=O)N(C(=O)S3)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C25H20ClNO4S/c1-16-3-5-17(6-4-16)15-31-21-12-7-18(13-22(21)30-2)14-23-24(28)27(25(29)32-23)20-10-8-19(26)9-11-20/h3-14H,15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,17,3,7,4,6,12,28,30,27,31,11,14,18,8,2,5,13,29,26,10,15,19,20,23,32,22,21,24,16,9,25/E:(3,4)(5,6)(8,9)(10,11)/rA:32nCCCCCCCCOCCCCCCOCCCCONCOSCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s13;w18;s19;d20;s20;s22;d23;s19s23;s22;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₀ClNO₄S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2304
Area:	699.508
Solvation:	-6.25734
Coulombic:	-44.1273

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	465.949
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.47
LogP (Chemaxon):	6.01

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