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Chemical ID: 6463757

COc1ccc(c(c1)C=C2C(=O)N(C(=Nc3ccc(cc3)F)S2)c4ccc(cc4)F)OC

Chemical ID:

6463757

Name [?]:

5-[(2,5-dimethoxyphenyl)methylene]-3-(4-fluorophenyl)-2-(4-fluorophenyl)imino-thiazolidin-4-one

SMILES [?]:

COc1ccc(c(c1)C=C2C(=O)N(C(=Nc3ccc(cc3)F)S2)c4ccc(cc4)F)OC

InChi [?]:

InChI=1/C24H18F2N2O3S/c1-30-20-11-12-21(31-2)15(13-20)14-22-23(29)28(19-9-5-17(26)6-10-19)24(32-22)27-18-7-3-16(25)4-8-18/h3-14H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,32,18,20,26,28,17,21,25,29,4,5,8,9,7,19,27,16,24,3,6,10,11,14,22,30,15,13,12,2,31,23/E:(3,4)(5,6)(7,8)(9,10)/rA:32nCOCCCCCCCCCONCNCCCCCCFSCCCCCCFOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;s13;s24;d25;s26;d27;d24s28;s27;s6;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₈F₂N₂O₃S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	7.96199
Area:	588.261
Solvation:	-6.74453
Coulombic:	-45.3789

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	5
Chiral:	2
Rigid Segments:	6

Chemical Properties

Molecular Weight:	452.474
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.95
LogP (Chemaxon):	6.05

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