Chemical ID: 3854158

CCn1c(nnc1SCC(C)C)COc2ccc(cc2)C
Chemical ID:
3854158
Name [?]:
4-ethyl-3-isobutylsulfanyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazole
SMILES [?]:
CCn1c(nnc1SCC(C)C)COc2ccc(cc2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H23N3OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.7804
Area:535.21
Solvation:-2.59981
Coulombic:-22.0591
Bond Count [?]
All:22
Single:17
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:305.439
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.61
LogP (Chemaxon):3.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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