Chemical ID: 5559461

Cc1ccc2nc(cc(=O)n2c1)CSc3nc4ccccc4s3
Chemical ID:
5559461
Name [?]:
3-(benzothiazol-2-ylsulfanylmethyl)-8-methyl-2,6-diazabicyclo[4.4.0]deca-1,3,7,9-tetraen-5-one
SMILES [?]:
Cc1ccc2nc(cc(=O)n2c1)CSc3nc4ccccc4s3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H13N3OS2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.0965
Area:535.327
Solvation:-2.28672
Coulombic:-28.902
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:339.437
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.78
LogP (Chemaxon):4.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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