Chemical ID: 6996053

CCn1c(csc1=Nc2c(cc(cc2C)C)C)c3ccc(cc3)Cl
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue