Chemical ID: 5437887

Cc1cc(c(c(c1)C)C(=O)CSc2nn(c(=S)s2)c3ccc(cc3)Cl)C
Chemical ID:
5437887
Name [?]:
2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2,4,6-trimethylphenyl)-ethanone
SMILES [?]:
Cc1cc(c(c(c1)C)C(=O)CSc2nn(c(=S)s2)c3ccc(cc3)Cl)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17ClN2OS3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:13.2272
Area:633.754
Solvation:-2.61667
Coulombic:-17.6388
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:421.002
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.79
LogP (Chemaxon):6.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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