Chemical ID: 4137108

CC(C)(C)c1ccc(cc1)c2nnc(n2c3ccc(cc3)OC)SCc4cccc(c4)OC
Chemical ID:
4137108
Name [?]:
4-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-1,2,4-triazole
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2nnc(n2c3ccc(cc3)OC)SCc4cccc(c4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H29N3O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.584
Area:713.47
Solvation:-4.25278
Coulombic:-30.7828
Bond Count [?]
All:36
Single:25
Double:11
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:459.604
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:8.72
LogP (Chemaxon):6.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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