Chemical ID: 6666051

COc1ccccc1C(=O)CC(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
6666051
Name [?]:
3-(2-methoxyphenyl)-N-[4-(3-nitrophenyl)thiazol-2-yl]-3-oxo-propanamide
SMILES [?]:
COc1ccccc1C(=O)CC(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H15N3O5S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:2.49223
Area:611.875
Solvation:-12.8047
Coulombic:-48.3097
Bond Count [?]
All:30
Single:19
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:397.406
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.95
LogP (Chemaxon):3.8

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