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Chemical ID: 7140239

Cc1ccc(cc1)COc2ccc(cc2)C=C3C(=O)NC(=Nc4ccc(cc4)C)S3

Chemical ID:

7140239

Name [?]:

2-(p-tolylimino)-5-[[4-(p-tolylmethoxy)phenyl]methylene]thiazolidin-4-one

SMILES [?]:

Cc1ccc(cc1)COc2ccc(cc2)C=C3C(=O)NC(=Nc4ccc(cc4)C)S3

InChi [?]:

InChI=1/C25H22N2O2S/c1-17-3-7-20(8-4-17)16-29-22-13-9-19(10-14-22)15-23-24(28)27-25(30-23)26-21-11-5-18(2)6-12-21/h3-15H,16H2,1-2H3,(H,26,27,28)

InChi Info:

AuxInfo=1/1/N:1,29,3,7,25,27,4,6,12,14,24,28,11,15,16,8,2,26,13,5,23,10,17,18,21,22,20,19,9,30/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30nCCCCCCCCOCCCCCCCCCONCNCCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;d18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s26;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂N₂O₂S
All Atoms:	52
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.0188
Area:	661.295
Solvation:	-3.51359
Coulombic:	-38.6943

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	5
Chiral:	2
Rigid Segments:	5

Chemical Properties

Molecular Weight:	414.52
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.59
LogP (Chemaxon):	6.81

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value