Chemical ID: 5527712

CCC(C)NC(=O)CSc1nnc(n1c2ccc(cc2)C)c3ccc(cc3)C(C)(C)C
Chemical ID:
5527712
Name [?]:
2-[[4-(p-tolyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide
SMILES [?]:
CCC(C)NC(=O)CSc1nnc(n1c2ccc(cc2)C)c3ccc(cc3)C(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H32N4OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:14.9198
Area:698.229
Solvation:-2.53588
Coulombic:-36.4118
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:436.614
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:8.03
LogP (Chemaxon):5.87

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