Chemical ID: 5819685

CCn1c(nnc1SCC(=O)Nc2nccs2)COc3cc(ccc3C(C)C)C
Chemical ID:
5819685
Name [?]:
2-[[4-ethyl-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2nccs2)COc3cc(ccc3C(C)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H25N5O2S2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.9673
Area:681.678
Solvation:-5.07467
Coulombic:-44.9323
Bond Count [?]
All:31
Single:23
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:431.577
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.84
LogP (Chemaxon):4.05

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue