Chemical ID: 6593012

c1ccc(c(c1)SCC(=O)NC2CCCCCCC2)Cl
Chemical ID:
6593012
Name [?]:
2-(2-chlorophenyl)sulfanyl-N-cyclooctyl-acetamide
SMILES [?]:
c1ccc(c(c1)SCC(=O)NC2CCCCCCC2)Cl
InChi [?]:
InChI=1/C16H22ClNOS/c17-14-10-6-7-11-15(14)20-12-16(19)18-13-8-4-2-1-3-5-9-13/h6-7,10-11,13H,1-5,8-9,12H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:16,15,17,14,18,2,1,13,19,3,6,8,12,4,5,9,20,11,10,7/E:(2,3)(4,5)(8,9)/rA:20nCCCCCCSCCONCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s12s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22ClNOS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.1889
Area:508.456
Solvation:-2.52249
Coulombic:-23.5255
Bond Count [?]
All:21
Single:17
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:311.871
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.26
LogP (Chemaxon):4.2

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