Chemical ID: 4764397

Cn1c(nnc1SCc2ccc(cc2)Cl)CN3c4cc(ccc4SCC3=O)C(F)(F)F
Chemical ID:
4764397
Name [?]:
10-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-(trifluoromethyl)-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
Cn1c(nnc1SCc2ccc(cc2)Cl)CN3c4cc(ccc4SCC3=O)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H16ClF3N4OS2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.8181
Area:650.961
Solvation:-3.45596
Coulombic:-48.7568
Bond Count [?]
All:34
Single:25
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:484.947
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.15
LogP (Chemaxon):4.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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