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Chemical ID: 5384228
Chemical ID:
5384228
Name [?]:
N-(2,4-dichlorophenyl)-2-(4-methylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1csc(n1)SCC(=O)Nc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C12H10Cl2N2OS2/c1-7-5-18-12(15-7)19-6-11(17)16-10-3-2-8(13)4-9(10)14/h2-5H,6H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,14,13,16,3,8,2,15,17,12,9,5,19,18,6,11,10,4,7/rA:19nCCCSCNSCCONCCCCCCClCl/rB:s1;d2;s3;s4;s2d5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10Cl2N2OS2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4055 |
Area: | 518.189 |
Solvation: | -2.54922 |
Coulombic: | -26.6861 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 333.258 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.24 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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