Chemical ID: 6646231

COc1ccc(cc1)c2csc(=NN=Cc3ccccc3)[nH]2
Chemical ID:
6646231
Name [?]:
N-benzylideneamino-4-(4-methoxyphenyl)-3H-thiazol-2-imine
SMILES [?]:
COc1ccc(cc1)c2csc(=NN=Cc3ccccc3)[nH]2
InChi [?]:
InChI=1/C17H15N3OS/c1-21-15-9-7-14(8-10-15)16-12-22-17(19-16)20-18-11-13-5-3-2-4-6-13/h2-12H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,21,5,7,4,8,15,10,16,6,3,9,12,14,22,13,2,11/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCOCCCCCCCCSCNNCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;w12;s13;w14;s15;s16;d17;s18;d19;d16s20;s9s12;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.75237
Area:520.688
Solvation:-3.26483
Coulombic:-25.3943
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:309.387
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.72
LogP (Chemaxon):3.63

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