Chemical ID: 4454392

CCn1c(nnc1SCc2ccc(cc2)C(C)(C)C)c3ccc(cc3)N
Chemical ID:
4454392
Name [?]:
4-[4-ethyl-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline
SMILES [?]:
CCn1c(nnc1SCc2ccc(cc2)C(C)(C)C)c3ccc(cc3)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H26N4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:13.3248
Area:604.48
Solvation:-1.78721
Coulombic:-32.6151
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:366.524
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:6.93
LogP (Chemaxon):5.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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