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Chemical ID: 4358064
Chemical ID:
4358064
Name [?]:
2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)thiazol-2-yl]-acetamide
SMILES [?]:
c1cc(ccc1c2csc(n2)NC(=O)COc3ccc(cc3)Cl)Cl
InChi [?]:
InChI=1/C17H12Cl2N2O2S/c18-12-3-1-11(2-4-12)15-10-24-17(20-15)21-16(22)9-23-14-7-5-13(19)6-8-14/h1-8,10H,9H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,19,21,18,22,15,8,6,3,20,17,7,13,10,24,23,11,12,14,16,9/E:(1,2)(3,4)(5,6)(7,8)/rA:24nCCCCCCCCSCNNCOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12Cl2N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.23 |
Area: | 593.764 |
Solvation: | -4.61412 |
Coulombic: | -35.417 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 379.261 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.76 |
LogP (Chemaxon): | 5.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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