Chemical ID: 4489357

CCn1c(nnc1SCC(=O)c2ccc(cc2)Br)CC(=O)Nc3cccc(c3)OC
Chemical ID:
4489357
Name [?]:
2-[5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)c2ccc(cc2)Br)CC(=O)Nc3cccc(c3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21BrN4O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.9754
Area:681.089
Solvation:-6.05184
Coulombic:-45.6379
Bond Count [?]
All:32
Single:22
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:489.387
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.09
LogP (Chemaxon):3.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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