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Chemical ID: 6544753

Chemical ID:

6544753

Name [?]:

2-(4-chlorophenyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]-acetamide

SMILES [?]:

c1cc(ccc1NC(=O)CSc2ccc(cc2)Cl)SC(F)F

InChi [?]:

InChI=1/C15H12ClF2NOS2/c16-10-1-5-12(6-2-10)21-9-14(20)19-11-3-7-13(8-4-11)22-15(17)18/h1-8,15H,9H2,(H,19,20)

InChi Info:

AuxInfo=1/1/N:14,16,1,5,13,17,2,4,10,15,6,12,3,8,20,18,21,22,7,9,11,19/E:(1,2)(3,4)(5,6)(7,8)(17,18)/rA:22nCCCCCCNCOCSCCCCCCClSCFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s3;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₂ClF₂NOS₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.08518
Area:	542.092
Solvation:	-4.46712
Coulombic:	-32.1553

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	359.843
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.09
LogP (Chemaxon):	5.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value