Chemical ID: 5385706

CC(C)(C)c1csc(n1)SCC(=O)Nc2cc(ccc2Cl)Cl
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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Descriptor Annotations

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