Chemical ID: 5411893

COc1ccc(cc1)OCCSc2nnc(n2CC=C)CC(=O)Nc3ccccc3F
Chemical ID:
5411893
Name [?]:
2-[4-allyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)OCCSc2nnc(n2CC=C)CC(=O)Nc3ccccc3F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23FN4O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.9824
Area:687.841
Solvation:-6.21364
Coulombic:-52.017
Bond Count [?]
All:33
Single:23
Double:10
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:442.508
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.25
LogP (Chemaxon):3.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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