Chemical ID: 4788390

COc1cccc(c1)c2nnc(n2c3ccc(cc3)Cl)SCc4cccc5c4cccc5
Chemical ID:
4788390
Name [?]:
4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole
SMILES [?]:
COc1cccc(c1)c2nnc(n2c3ccc(cc3)Cl)SCc4cccc5c4cccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H20ClN3OS
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.7307
Area:676.992
Solvation:-3.19405
Coulombic:-24.5199
Bond Count [?]
All:36
Single:23
Double:13
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:457.975
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:8.87
LogP (Chemaxon):6.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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