Chemical ID: 5298074

Cc1ccc(cc1)OCc2nnc(n2CC=C)SCC(=O)Nc3ccc(cc3Br)C
Chemical ID:
5298074
Name [?]:
2-[[4-allyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-methyl-phenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCc2nnc(n2CC=C)SCC(=O)Nc3ccc(cc3Br)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23BrN4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.0089
Area:690.318
Solvation:-4.24904
Coulombic:-42.5732
Bond Count [?]
All:32
Single:22
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:487.414
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.5
LogP (Chemaxon):4.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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