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Chemical ID: 6218081
Chemical ID:
6218081
Name [?]:
2-(4-chlorophenoxy)-N-[4-(4-cyanophenyl)thiazol-2-yl]-acetamide
SMILES [?]:
c1cc(ccc1C#N)c2csc(n2)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H12ClN3O2S/c19-14-5-7-15(8-6-14)24-10-17(23)22-18-21-16(11-25-18)13-3-1-12(9-20)2-4-13/h1-8,11H,10H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,21,23,20,24,7,17,10,6,3,22,19,9,15,12,25,8,13,14,16,18,11/E:(1,2)(3,4)(5,6)(7,8)/rA:25nCCCCCCCNCCSCNNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12ClN3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99371 |
Area: | 601.274 |
Solvation: | -5.03814 |
Coulombic: | -37.9556 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 369.826 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.86 |
LogP (Chemaxon): | 4.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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