Chemical ID: 4474489

Cc1cccc(c1OCc2nnc(n2CC=C)SCC(=O)Nc3ccc(c(c3)Cl)C)C
Chemical ID:
4474489
Name [?]:
2-[[4-allyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methyl-phenyl)-acetamide
SMILES [?]:
Cc1cccc(c1OCc2nnc(n2CC=C)SCC(=O)Nc3ccc(c(c3)Cl)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H25ClN4O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.3742
Area:695.892
Solvation:-4.02314
Coulombic:-43.1974
Bond Count [?]
All:33
Single:23
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:456.989
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.13
LogP (Chemaxon):5.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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