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Chemical ID: 4324037
Chemical ID:
4324037
Name [?]:
2-(4-chlorophenoxy)-N-[5-[(2,3-dichlorophenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)Cc2cnc(s2)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H13Cl3N2O2S/c19-12-4-6-13(7-5-12)25-10-16(24)23-18-22-9-14(26-18)8-11-2-1-3-15(20)17(11)21/h1-7,9H,8,10H2,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,24,21,25,9,11,18,3,23,20,10,5,16,4,13,26,7,8,12,15,17,19,14/E:(4,5)(6,7)/rA:26nCCCCCCClClCCCNCSNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13Cl3N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5161 |
Area: | 630.589 |
Solvation: | -5.24859 |
Coulombic: | -34.6223 |
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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