Chemical ID: 6179566

COc1ccc(cc1)OCC(=O)Nc2ncc(s2)Cc3ccc(cc3)Br
Chemical ID:
6179566
Name [?]:
N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-2-(4-methoxyphenoxy)-acetamide
SMILES [?]:
COc1ccc(cc1)OCC(=O)Nc2ncc(s2)Cc3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17BrN2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.89301
Area:615.442
Solvation:-6.49304
Coulombic:-40.2414
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:433.32
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.34
LogP (Chemaxon):4.36

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