Chemical ID: 5298846

CC(C)(C)c1ccc(cc1)c2nnc(n2C)SCc3ccc(cc3)[N+](=O)[O-]
Chemical ID:
5298846
Name [?]:
4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-1,2,4-triazole
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2nnc(n2C)SCc3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H22N4O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.49142
Area:619.863
Solvation:-7.00515
Coulombic:-27.7763
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:382.48
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.09
LogP (Chemaxon):5.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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