Chemical ID: 4431002

c1ccc(cc1)C(C(=O)c2ccccc2)Sc3nn(c(=S)s3)c4ccccc4
Chemical ID:
4431002
Name [?]:
1,2-diphenyl-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILES [?]:
c1ccc(cc1)C(C(=O)c2ccccc2)Sc3nn(c(=S)s3)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H16N2OS3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.7083
Area:611.879
Solvation:-2.58863
Coulombic:-21.0052
Bond Count [?]
All:31
Single:19
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:420.573
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.35
LogP (Chemaxon):6.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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