Chemical ID: 7346858

c1cc(c(cc1Cl)SCC(=O)NC2CCCCCC2)Cl
Chemical ID:
7346858
Name [?]:
N-cycloheptyl-2-(2,5-dichlorophenyl)sulfanyl-acetamide
SMILES [?]:
c1cc(c(cc1Cl)SCC(=O)NC2CCCCCC2)Cl
InChi [?]:
InChI=1/C15H19Cl2NOS/c16-11-7-8-13(17)14(9-11)20-10-15(19)18-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:16,17,15,18,14,19,1,2,5,9,6,13,3,4,10,7,20,12,11,8/E:(1,2)(3,4)(5,6)/rA:20nCCCCCCClSCCONCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s13s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19Cl2NOS
All Atoms:39
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.6889
Area:529.108
Solvation:-2.53878
Coulombic:-22.9728
Bond Count [?]
All:21
Single:17
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:332.289
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.31
LogP (Chemaxon):4.32

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Descriptor Annotations

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