Chemical ID: 5428510

Cc1ccc(c(c1)C(=O)CSc2nn(c(=S)s2)c3ccc(cc3)Cl)C
Chemical ID:
5428510
Name [?]:
2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2,5-dimethylphenyl)-ethanone
SMILES [?]:
Cc1ccc(c(c1)C(=O)CSc2nn(c(=S)s2)c3ccc(cc3)Cl)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H15ClN2OS3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.7679
Area:612.964
Solvation:-2.5562
Coulombic:-17.7046
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:406.975
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.35
LogP (Chemaxon):6.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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