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Chemical ID: 6996053
Chemical ID:
6996053
Name [?]:
4-(4-chlorophenyl)-3-ethyl-N-(2,4,6-trimethylphenyl)-thiazol-2-imine
SMILES [?]:
CCn1c(csc1=Nc2c(cc(cc2C)C)C)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H21ClN2S/c1-5-23-18(16-6-8-17(21)9-7-16)12-24-20(23)22-19-14(3)10-13(2)11-15(19)4/h6-12H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,2,19,23,20,22,13,11,5,12,14,10,18,21,4,9,7,24,8,3,6/E:(3,4)(6,7)(8,9)(10,11)(14,15)/rA:24nCCNCCSCNCCCCCCCCCCCCCCCCl/rB:s1;s2;s3;d4;s5;s3s6;w7;s8;s9;d10;s11;d12;d9s13;s14;s12;s10;s4;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21ClN2S |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9248 |
Area: | 534.948 |
Solvation: | -1.44893 |
Coulombic: | -16.0766 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 356.913 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.69 |
LogP (Chemaxon): | 7.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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