Chemical ID: 3850846

CC(C)(C)c1ccc(cc1)c2nnc(n2CCCOC)SCc3ccc(cc3)Cl
Chemical ID:
3850846
Name [?]:
3-[(4-chlorophenyl)methylsulfanyl]-4-(3-methoxypropyl)-5-(4-tert-butylphenyl)-1,2,4-triazole
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2nnc(n2CCCOC)SCc3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H28ClN3OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:14.093
Area:693.323
Solvation:-3.24008
Coulombic:-24.6249
Bond Count [?]
All:31
Single:23
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:430.007
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:8.11
LogP (Chemaxon):6.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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