Chemical ID: 5697621

c1cc(oc1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)c4cccs4)[O-]
Chemical ID:
5697621
Name [?]:
2-furyl-[1-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]-4,5-dioxo-2-(2-thienyl)pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
c1cc(oc1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)c4cccs4)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H22N2O5S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:-44.3645
Area:582.383
Solvation:-58.9241
Coulombic:-15.1651
Bond Count [?]
All:31
Single:24
Double:7
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:402.465
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.13
LogP (Chemaxon):-3.51

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Descriptor Annotations

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