Chemical ID: 5297780

CCn1c(nnc1SCc2c(cccc2Cl)Cl)c3ccccc3OC
Chemical ID:
5297780
Name [?]:
3-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole
SMILES [?]:
CCn1c(nnc1SCc2c(cccc2Cl)Cl)c3ccccc3OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H17Cl2N3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.4837
Area:587.83
Solvation:-3.21203
Coulombic:-22.8036
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:394.319
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:7.08
LogP (Chemaxon):5.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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