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Chemical ID: 6944658
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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