Chemical ID: 5691743

Cc1cc(ccc1OCC(C)C)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)c4ccc(cc4)F)[O-]
Chemical ID:
5691743
Name [?]:
[2-(4-fluorophenyl)-1-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(4-isobutoxy-3-methyl-phenyl)-methanolate
SMILES [?]:
Cc1cc(ccc1OCC(C)C)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)c4ccc(cc4)F)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H35FN2O5
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:-41.9055
Area:733.073
Solvation:-60.2323
Coulombic:-19.7414
Bond Count [?]
All:40
Single:31
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:510.597
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.75
LogP (Chemaxon):1.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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