Chemical ID: 4126369

Cc1cc(ccc1OCC=C)C(=O)C2=C(C(=O)N(C2c3ccccc3F)CCCN4CCOCC4)O
Chemical ID:
4126369
Name [?]:
4-(4-allyloxy-3-methyl-benzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1OCC=C)C(=O)C2=C(C(=O)N(C2c3ccccc3F)CCCN4CCOCC4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H31FN2O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:11.4103
Area:747.391
Solvation:-7.27444
Coulombic:-68.8781
Bond Count [?]
All:39
Single:29
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:494.555
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.93
LogP (Chemaxon):1.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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