Chemical ID: 4553089

Cc1ccccc1C(=O)NC2C3N(C2=O)C(=C(CS3)CSc4nnc(s4)C)C(=O)O
Chemical ID:
4553089
Name [?]:
8-(2-methylbenzoyl)amino-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 [?]:
Cc1ccccc1C(=O)NC2C3N(C2=O)C(=C(CS3)CSc4nnc(s4)C)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H18N4O4S3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:12.0472
Area:673.745
Solvation:-4.79644
Coulombic:-71.5247
Bond Count [?]
All:33
Single:24
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:462.569
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.76
LogP (Chemaxon):1.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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