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Chemical ID: 7140244

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

Chemical ID:

7140244

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C25H22N2O3S/c1-17-3-5-19(6-4-17)16-30-22-11-7-18(8-12-22)15-23-24(28)27-25(31-23)26-20-9-13-21(29-2)14-10-20/h3-15H,16H2,1-2H3,(H,26,27,28)

InChi Info:

AuxInfo=1/1/N:1,30,3,7,4,6,12,14,24,28,11,15,25,27,16,8,2,13,5,23,26,10,17,18,21,22,20,19,29,9,31/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:31nCCCCCCCCOCCCCCCCCCONCNCCCCCCOCS/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;s29;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂N₂O₃S
All Atoms:	53
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.999
Area:	676.241
Solvation:	-4.90703
Coulombic:	-44.8781

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	6
Chiral:	2
Rigid Segments:	6

Chemical Properties

Molecular Weight:	430.52
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.07
LogP (Chemaxon):	6.09

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