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Chemical ID: 6571040

CN(C(=O)c1c(cccc1Cl)F)C2(CCCC(=Cc3cccs3)C2=O)c4ccccc4Cl

Chemical ID:

6571040

Name [?]:

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

SMILES [?]:

CN(C(=O)c1c(cccc1Cl)F)C2(CCCC(=Cc3cccs3)C2=O)c4ccccc4Cl

InChi [?]:

InChI=1/C25H20Cl2FNO2S/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:1,28,29,8,15,21,16,20,27,30,9,7,14,22,18,17,19,26,31,10,6,5,24,3,13,32,11,12,2,25,4,23/rA:32cCNCOCCCCCCClFCCCCCCCCCCSCOCCCCCCCl/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:	C₂₅H₂₀Cl₂FNO₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	11.8495
Area:	612.575
Solvation:	-3.46485
Coulombic:	-34.5351

Bond Count [?]

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

Chemical Properties

Molecular Weight:	488.402
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.74
LogP (Chemaxon):	6.61

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