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Chemical ID: 5385706
Chemical ID:
5385706
Name [?]:
N-(2,5-dichlorophenyl)-2-(4-tert-butylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
CC(C)(C)c1csc(n1)SCC(=O)Nc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C15H16Cl2N2OS2/c1-15(2,3)12-7-21-14(19-12)22-8-13(20)18-11-6-9(16)4-5-10(11)17/h4-7H,8H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,18,19,16,6,11,17,20,15,5,12,8,2,22,21,14,9,13,7,10/E:(1,2,3)/rA:22nCCCCCCSCNSCCONCCCCCCClCl/rB:s1;s2;s2;s2;d5;s6;s7;s5d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16Cl2N2OS2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9659 |
Area: | 579.195 |
Solvation: | -2.51399 |
Coulombic: | -27.9525 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 375.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.98 |
LogP (Chemaxon): | 5.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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