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Chemical ID: 5083193
Chemical ID:
5083193
Name [?]:
2-(4-chlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
c1cc(ccc1OCC(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl)Cl
InChi [?]:
InChI=1/C18H13Cl3N2O2S/c19-12-1-4-14(5-2-12)25-10-17(24)23-18-22-9-15(26-18)8-11-7-13(20)3-6-16(11)21/h1-7,9H,8,10H2,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:2,4,21,1,5,22,19,17,14,8,18,3,20,6,15,23,9,12,26,25,24,13,11,10,7,16/E:(1,2)(4,5)/rA:26nCCCCCCOCCONCNCCSCCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;d19;s20;d21;d18s22;s23;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13Cl3N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5952 |
Area: | 637.935 |
Solvation: | -5.35319 |
Coulombic: | -34.3204 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 427.732 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.49 |
LogP (Chemaxon): | 5.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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