Chemical ID: 4152450

Cc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(c(c3)Br)OC
Chemical ID:
4152450
Name [?]:
3-(3-bromo-4-methoxy-phenyl)-N-[4-(p-tolyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(c(c3)Br)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17BrN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.721
Area:590.46
Solvation:-4.04047
Coulombic:-35.7095
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:429.331
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.25
LogP (Chemaxon):6.04

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