Chemical ID: 3854254

CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)C)COc3ccc(cc3)Br
Chemical ID:
3854254
Name [?]:
N-(4-acetylphenyl)-2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)C)COc3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21BrN4O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.8755
Area:691.916
Solvation:-5.42239
Coulombic:-47.2969
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:5.27
LogP (Chemaxon):3.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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