Chemical ID: 4553088

Cc1nnc(s1)SCC2=C(N3C(C(C3=O)NC(=O)c4ccc(cc4)C#N)SC2)C(=O)O
Chemical ID:
4553088
Name [?]:
7-(4-cyanobenzoyl)amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES [?]:
Cc1nnc(s1)SCC2=C(N3C(C(C3=O)NC(=O)c4ccc(cc4)C#N)SC2)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H15N5O4S3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:11.8793
Area:693.679
Solvation:-5.46271
Coulombic:-73.846
Bond Count [?]
All:34
Single:24
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:473.552
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.05
LogP (Chemaxon):0.78

Name Annotations

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Descriptor Annotations

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