Chemical ID: 4783819

CC(C)(C)c1ccc(cc1)n2c(nnc2SCc3ccc(cc3)Cl)c4ccccc4Cl
Chemical ID:
4783819
Name [?]:
3-(2-chlorophenyl)-5-[(4-chlorophenyl)methylsulfanyl]-4-(4-tert-butylphenyl)-1,2,4-triazole
SMILES [?]:
CC(C)(C)c1ccc(cc1)n2c(nnc2SCc3ccc(cc3)Cl)c4ccccc4Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H23Cl2N3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:15.7602
Area:696.946
Solvation:-1.66343
Coulombic:-18.5336
Bond Count [?]
All:34
Single:23
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:468.442
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:10.13
LogP (Chemaxon):8.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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