Chemical ID: 5559909

Cc1ccc(cc1)n2c(nnc2SCC(=O)C)c3ccc(cc3)Cl
Chemical ID:
5559909
Name [?]:
1-[[5-(4-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCC(=O)C)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16ClN3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.2397
Area:562.28
Solvation:-2.81729
Coulombic:-21.1393
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:357.858
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.07
LogP (Chemaxon):4.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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