Chemical ID: 5374366

CC(C)Cn1c(nnc1SCC(=O)Nc2ccc(cc2F)Br)c3ccc(cc3)OC
Chemical ID:
5374366
Name [?]:
N-(4-bromo-2-fluoro-phenyl)-2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CC(C)Cn1c(nnc1SCC(=O)Nc2ccc(cc2F)Br)c3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22BrFN4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.9321
Area:658.447
Solvation:-4.52904
Coulombic:-45.1983
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:493.394
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.48
LogP (Chemaxon):4.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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