Chemical ID: 4789535

Cc1ccc(cc1)n2c(nnc2SCc3cccc(c3)OC)c4ccc(cc4)C(C)(C)C
Chemical ID:
4789535
Name [?]:
3-[(3-methoxyphenyl)methylsulfanyl]-4-(p-tolyl)-5-(4-tert-butylphenyl)-1,2,4-triazole
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCc3cccc(c3)OC)c4ccc(cc4)C(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H29N3OS
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.4719
Area:694.214
Solvation:-2.88341
Coulombic:-24.5266
Bond Count [?]
All:35
Single:24
Double:11
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:443.605
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:9.24
LogP (Chemaxon):7.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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