Chemical ID: 4553102

Cc1c(cn(n1)C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSc4nnc(s4)C)C(=O)O
Chemical ID:
4553102
Name [?]:
8-(1,3-dimethylpyrazol-4-yl)carbonylamino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-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)CSc4nnc(s4)C)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H18N6O4S3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:11.2102
Area:683.778
Solvation:-5.8843
Coulombic:-72.5386
Bond Count [?]
All:33
Single:25
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:466.561
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.96
LogP (Chemaxon):-1.01

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Descriptor Annotations

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