Chemical ID: 4459036

c1cc(ccc1F)SCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
Chemical ID:
4459036
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)sulfanyl-acetamide
SMILES [?]:
c1cc(ccc1F)SCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C15H10ClF4NOS/c16-12-6-1-9(15(18,19)20)7-13(12)21-14(22)8-23-11-4-2-10(17)3-5-11/h1-7H,8H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:16,1,5,2,4,17,14,9,15,6,3,18,13,10,20,19,7,21,22,23,12,11,8/E:(2,3)(4,5)(18,19,20)/rA:23nCCCCCCFSCCONCCCCCCClCFFF/rB:s1;d2;s3;d4;d1s5;s6;s3;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s15;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10ClF4NOS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.8306
Area:518.917
Solvation:-4.14233
Coulombic:-43.7539
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:363.758
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.95
LogP (Chemaxon):4.35

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