Chemical ID: 4790096

CCn1c(nnc1SCC(=O)Nc2c(cccc2C)C)c3ccc(cc3)Cl
Chemical ID:
4790096
Name [?]:
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2c(cccc2C)C)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21ClN4OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.5993
Area:622.029
Solvation:-2.95147
Coulombic:-34.2885
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:400.926
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.03
LogP (Chemaxon):3.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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