Chemical ID: 3843571

CCn1c(nnc1SCc2ccccc2Cl)c3ccccc3OC
Chemical ID:
3843571
Name [?]:
3-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole
SMILES [?]:
CCn1c(nnc1SCc2ccccc2Cl)c3ccccc3OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18ClN3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.9035
Area:564.209
Solvation:-3.20168
Coulombic:-22.8791
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:359.874
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.46
LogP (Chemaxon):4.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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