Chemical ID: 3854253

CCn1c(nnc1SCC(=O)Nc2cccc(c2)C)COc3ccc(cc3)Br
Chemical ID:
3854253
Name [?]:
2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2cccc(c2)C)COc3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21BrN4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.0908
Area:657.052
Solvation:-4.33549
Coulombic:-40.6569
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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