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Chemical ID: 7346858
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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