Chemical ID: 5297695

CCn1c(nnc1SCC(=O)Nc2ccc(cc2C)Br)COc3ccccc3
Chemical ID:
5297695
Name [?]:
N-(4-bromo-2-methyl-phenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2C)Br)COc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21BrN4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.202
Area:654.259
Solvation:-4.1545
Coulombic:-41.0384
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:5.66
LogP (Chemaxon):3.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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