Chemical ID: 4629791

COc1ccc(cc1)c2csc(=Nc3ccccc3)n2CC=C
Chemical ID:
4629791
Name [?]:
3-allyl-4-(4-methoxyphenyl)-N-phenyl-thiazol-2-imine
SMILES [?]:
COc1ccc(cc1)c2csc(=Nc3ccccc3)n2CC=C
InChi [?]:
InChI=1/C19H18N2OS/c1-3-13-21-18(15-9-11-17(22-2)12-10-15)14-23-19(21)20-16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3
InChi Info:
AuxInfo=1/0/N:23,1,22,17,16,18,15,19,5,7,4,8,21,10,6,14,3,9,12,13,20,2,11/E:(5,6)(7,8)(9,10)(11,12)/rA:23nCOCCCCCCCCSCNCCCCCCNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;w12;s13;s14;d15;s16;d17;d14s18;s9s12;s20;s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.0985
Area:519.334
Solvation:-2.88481
Coulombic:-24.2184
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:322.425
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.28
LogP (Chemaxon):5.61

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