Chemical ID: 4467549

Cc1cccc(c1OCc2nnc(n2C)SCC(=O)Nc3ccc(c(c3)C)Br)C
Chemical ID:
4467549
Name [?]:
N-(4-bromo-3-methyl-phenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cc1cccc(c1OCc2nnc(n2C)SCC(=O)Nc3ccc(c(c3)C)Br)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23BrN4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.4126
Area:659.813
Solvation:-4.08268
Coulombic:-40.8492
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:475.403
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.69
LogP (Chemaxon):4.98

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