Chemical ID: 4553097

Cc1c(cn(n1)C)C(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O
Chemical ID:
4553097
Name [?]:
8-(1,3-dimethylpyrazol-4-yl)carbonylamino-4-methyl-7-oxo-2-thia-6-azabicyclo[4.2.0]oct-4-ene-5-carboxylic acid
SMILES [?]:
Cc1c(cn(n1)C)C(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H16N4O4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:7.75152
Area:515.654
Solvation:-5.13984
Coulombic:-68.1888
Bond Count [?]
All:25
Single:19
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:336.367
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:-0.14
LogP (Chemaxon):-0.9

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