Chemical ID: 5542029

CCc1ccc(cc1)n2c(nnc2SCC(=O)c3ccc(cc3)Cl)C
Chemical ID:
5542029
Name [?]:
1-(4-chlorophenyl)-2-[[4-(4-ethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILES [?]:
CCc1ccc(cc1)n2c(nnc2SCC(=O)c3ccc(cc3)Cl)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H18ClN3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.2294
Area:599.841
Solvation:-2.76659
Coulombic:-21.3102
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:371.885
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.49
LogP (Chemaxon):4.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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