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Chemical ID: 7140254

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

Chemical ID:

7140254

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C24H19FN2O2S/c1-16-2-4-18(5-3-16)15-29-21-12-6-17(7-13-21)14-22-23(28)27-24(30-22)26-20-10-8-19(25)9-11-20/h2-14H,15H2,1H3,(H,26,27,28)

InChi Info:

AuxInfo=1/1/N:1,3,7,4,6,12,14,25,27,24,28,11,15,16,8,2,13,5,26,23,10,17,18,21,29,22,20,19,9,30/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:30nCCCCCCCCOCCCCCCCCCONCNCCCCCCFS/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:	C₂₄H₁₉FN₂O₂S
All Atoms:	49
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6773
Area:	645.284
Solvation:	-4.45476
Coulombic:	-41.4848

Bond Count [?]

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

Chemical Properties

Molecular Weight:	418.484
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.31
LogP (Chemaxon):	6.48

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