Chemical ID: 5357134

CCn1c(nnc1SCC(=O)Nc2ccc(cc2)Br)COc3cccc(c3)C
Chemical ID:
5357134
Name [?]:
N-(4-bromophenyl)-2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)Br)COc3cccc(c3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21BrN4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.2479
Area:659.216
Solvation:-4.23249
Coulombic:-40.8557
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:461.376
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.87
LogP (Chemaxon):4.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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