Chemical ID: 5424893

Cn1c(nnc1SCC(=O)c2ccc(cc2)OC)CCNC(=O)c3ccccc3F
Chemical ID:
5424893
Name [?]:
2-fluoro-N-[2-[5-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
SMILES [?]:
Cn1c(nnc1SCC(=O)c2ccc(cc2)OC)CCNC(=O)c3ccccc3F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21FN4O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.0009
Area:673.829
Solvation:-6.84482
Coulombic:-51.0326
Bond Count [?]
All:32
Single:22
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:428.481
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.52
LogP (Chemaxon):1.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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