Chemical ID: 5537789

CC(=C)CSc1nnc(n1C2CCCCC2)c3ccc(c(c3)OC)OC
Chemical ID:
5537789
Name [?]:
4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazole
SMILES [?]:
CC(=C)CSc1nnc(n1C2CCCCC2)c3ccc(c(c3)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H27N3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1961
Area:590.526
Solvation:-4.56704
Coulombic:-29.3946
Bond Count [?]
All:28
Single:22
Double:6
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:373.513
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.65
LogP (Chemaxon):4.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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