Chemical ID: 5391916

c1cc(ccc1NC(=O)CC2C(=O)N3CCN=C3S2)F
Chemical ID:
5391916
Name [?]:
N-(4-fluorophenyl)-2-(8-oxo-6-thia-1,4-diazabicyclo[3.3.0]oct-4-en-7-yl)-acetamide
SMILES [?]:
c1cc(ccc1NC(=O)CC2C(=O)N3CCN=C3S2)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H12FN3O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.08616
Area:459.24
Solvation:-4.39485
Coulombic:-43.7549
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:293.318
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.36
LogP (Chemaxon):1.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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