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Chemical ID: 6571039

CN(C(=O)c1c(cccc1F)F)C2(CCCC(=Cc3cccs3)C2=O)c4ccccc4Cl

Chemical ID:

6571039

Name [?]:

N-[1-(2-chlorophenyl)-2-oxo-3-(2-thienylmethylene)cyclohexyl]-2,6-difluoro-N-methyl-benzamide

SMILES [?]:

CN(C(=O)c1c(cccc1F)F)C2(CCCC(=Cc3cccs3)C2=O)c4ccccc4Cl

InChi [?]:

InChI=1/C25H20ClF2NO2S/c1-29(24(31)22-20(27)11-4-12-21(22)28)25(18-9-2-3-10-19(18)26)13-5-7-16(23(25)30)15-17-8-6-14-32-17/h2-4,6,8-12,14-15H,5,7,13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,28,29,8,15,21,16,20,27,30,7,9,14,22,18,17,19,26,31,6,10,5,24,3,13,32,12,11,2,25,4,23/E:(11,12)(20,21)(27,28)/rA:32cCNCOCCCCCCFFCCCCCCCCCCSCOCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s6;s2;s13;s14;s15;s16;w17;s18;d19;s20;d21;s19s22;s13s17;d24;s13;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₀ClF₂NO₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	10.7736
Area:	601.174
Solvation:	-4.25575
Coulombic:	-37.0831

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	5
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	471.947
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.28
LogP (Chemaxon):	6.23

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

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Chemical Mix	Source	External ID	Descriptor	Value