Chemical ID: 4479897

CSc1ccccc1NC(=O)CSc2ccc(cc2)Cl
Chemical ID:
4479897
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfanylphenyl)-acetamide
SMILES [?]:
CSc1ccccc1NC(=O)CSc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H14ClNOS2/c1-19-14-5-3-2-4-13(14)17-15(18)10-20-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,16,18,15,19,12,17,14,8,3,10,20,9,11,2,13/E:(6,7)(8,9)/rA:20nCSCCCCCCNCOCSCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14ClNOS2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.4358
Area:525.102
Solvation:-2.69173
Coulombic:-23.4594
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:323.862
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.6
LogP (Chemaxon):4.63

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