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Chemical ID: 7428327
Chemical ID:
7428327
Name [?]:
2-chloro-N-[4-(4-chlorophenyl)-5-methyl-thiazol-2-yl]-acetamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)CCl)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C12H10Cl2N2OS/c1-7-11(8-2-4-9(14)5-3-8)16-12(18-7)15-10(17)6-13/h2-5H,6H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,13,17,14,16,10,2,12,15,8,3,5,11,18,7,4,9,6/E:(2,3)(4,5)/rA:18nCCCNCSNCOCClCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s3;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10Cl2N2OS |
All Atoms: | 28 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.10997 |
Area: | 481.72 |
Solvation: | -2.93302 |
Coulombic: | -26.8982 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 301.192 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.82 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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