Chemical ID: 5544469

CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)C)Br)c3cccc(c3)C
Chemical ID:
5544469
Name [?]:
N-(4-bromo-3-methyl-phenyl)-2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)C)Br)c3cccc(c3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21BrN4OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.9576
Area:627.241
Solvation:-2.72343
Coulombic:-34.2284
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:445.377
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.41
LogP (Chemaxon):5.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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