Chemical ID: 6944658

c1cc(ccc1SCC(=O)NC23CC4CC(C2)CC(C4)C3)Cl
Chemical ID:
6944658
Name [?]:
N-(1-adamantyl)-2-(4-chlorophenyl)sulfanyl-acetamide
SMILES [?]:
c1cc(ccc1SCC(=O)NC23CC4CC(C2)CC(C4)C3)Cl
InChi [?]:
InChI=1/C18H22ClNOS/c19-15-1-3-16(4-2-15)22-11-17(21)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,15,18,20,17,13,21,8,16,14,19,3,6,9,12,22,11,10,7/E:(1,2)(3,4)(5,6,7)(8,9,10)(12,13,14)/rA:22nCCCCCCSCCONCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22ClNOS
All Atoms:44
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.6643
Area:516.235
Solvation:-2.24152
Coulombic:-23.0346
Bond Count [?]
All:25
Single:21
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:335.892
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.17
LogP (Chemaxon):3.54

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Descriptor Annotations

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