Chemical ID: 5133937

COc1cccc(c1)C=NNc2nc(cs2)c3ccc(cc3Cl)Cl
Chemical ID:
5133937
Name [?]:
4-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
COc1cccc(c1)C=NNc2nc(cs2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C17H13Cl2N3OS/c1-23-13-4-2-3-11(7-13)9-20-22-17-21-16(10-24-17)14-6-5-12(18)8-15(14)19/h2-10H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,19,18,8,21,9,15,7,20,3,17,22,14,12,24,23,10,13,11,2,16/rA:24nCOCCCCCCCNNCNCCSCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13Cl2N3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7807
Area:571.434
Solvation:-3.50515
Coulombic:-25.2387
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:378.276
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.34
LogP (Chemaxon):5.93

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