Chemical ID: 7537090

CCC(C(=O)Nc1ccccc1)Sc2nnc(n2C)Cc3ccccc3
Chemical ID:
7537090
Name [?]:
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-butanamide
SMILES [?]:
CCC(C(=O)Nc1ccccc1)Sc2nnc(n2C)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H22N4OS
All Atoms:48
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:11.4953
Area:590.204
Solvation:-3.25975
Coulombic:-34.4378
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.99
LogP (Chemaxon):None

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