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Chemical ID: 6608696

c1cc(ccc1c2csc(=Nc3ccc(cc3)SC(F)F)n2CC4CCCO4)OC(F)F

Chemical ID:

6608696

Name [?]:

4-[4-(difluoromethoxy)phenyl]-N-[4-(difluoromethylsulfanyl)phenyl]-3-(tetrahydrofuran-2-ylmethyl)thiazol-2-imine

SMILES [?]:

c1cc(ccc1c2csc(=Nc3ccc(cc3)SC(F)F)n2CC4CCCO4)OC(F)F

InChi [?]:

InChI=1/C22H20F4N2O2S2/c23-20(24)30-16-7-3-14(4-8-16)19-13-31-22(28(19)12-17-2-1-11-29-17)27-15-5-9-18(10-6-15)32-21(25)26/h3-10,13,17,20-21H,1-2,11-12H2

InChi Info:

AuxInfo=1/0/N:26,25,1,5,13,17,2,4,14,16,27,23,8,6,12,3,24,15,7,30,19,10,31,32,20,21,11,22,28,29,9,18/E:(3,4)(5,6)(7,8)(9,10)(23,24)(25,26)/rA:32cCCCCCCCCSCNCCCCCCSCFFNCCCCCOOCFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;w10;s11;s12;d13;s14;d15;d12s16;s15;s18;s19;s19;s7s10;s22;s23;s24;s25;s26;s24s27;s3;s29;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀F₄N₂O₂S₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	9.55785
Area:	636.915
Solvation:	-6.36503
Coulombic:	-51.8651

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	484.532
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.96
LogP (Chemaxon):	7.49

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