Chemical ID: 5297971

Cc1ccc(cc1)OCc2nnc(n2CC=C)SCC(=O)Nc3cc(ccc3C)C
Chemical ID:
5297971
Name [?]:
2-[[4-allyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCc2nnc(n2CC=C)SCC(=O)Nc3cc(ccc3C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26N4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.61
Area:682.554
Solvation:-4.45386
Coulombic:-42.1875
Bond Count [?]
All:32
Single:22
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:422.544
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.93
LogP (Chemaxon):4.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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