Chemical ID: 5977609

Cc1ccc(cc1)n2c(nnc2SCc3cccc(c3)C)C(C)NC(=O)CC(C)(C)C
Chemical ID:
5977609
Name [?]:
3,3-dimethyl-N-[1-[5-(m-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]butanamide
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCc3cccc(c3)C)C(C)NC(=O)CC(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:15.2978
Area:706.741
Solvation:-2.37074
Coulombic:-36.2402
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:436.614
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.86
LogP (Chemaxon):5.79

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