Chemical ID: 4461755

COCCn1c(nnc1SCC(=O)Nc2ccc(c(c2)Cl)F)Cc3ccccc3
Chemical ID:
4461755
Name [?]:
2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-fluoro-phenyl)-acetamide
SMILES [?]:
COCCn1c(nnc1SCC(=O)Nc2ccc(c(c2)Cl)F)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20ClFN4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.3927
Area:670.269
Solvation:-5.36404
Coulombic:-44.4995
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:434.916
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.94
LogP (Chemaxon):3.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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