Chemical ID: 5400329

Cc1ccsc1C=Nn2c(csc2=NCCOC)c3ccc(cc3Cl)Cl
Chemical ID:
5400329
Name [?]:
4-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-[(3-methyl-2-thienyl)methyleneamino]thiazol-2-imine
SMILES [?]:
Cc1ccsc1C=Nn2c(csc2=NCCOC)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C18H17Cl2N3OS2/c1-12-5-8-25-17(12)10-22-23-16(11-26-18(23)21-6-7-24-2)14-4-3-13(19)9-15(14)20/h3-5,8-11H,6-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,21,20,3,15,16,4,23,7,11,2,22,19,24,10,6,13,26,25,14,8,9,17,5,12/rA:26nCCCCSCCNNCCSCNCCOCCCCCCCClCl/rB:s1;s2;d3;s4;d2s5;s6;w7;s8;s9;d10;s11;s9s12;w13;s14;s15;s16;s17;s10;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17Cl2N3OS2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.4471
Area:585.2
Solvation:-4.18291
Coulombic:-21.4328
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:426.385
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.15
LogP (Chemaxon):5.54

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