Chemical ID: 4208751

c1cc(cc(c1)Br)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4)F
Chemical ID:
4208751
Name [?]:
5-(3-bromophenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
c1cc(cc(c1)Br)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H22BrFN2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.91146
Area:654.689
Solvation:-6.45577
Coulombic:-60.0192
Bond Count [?]
All:34
Single:25
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:489.334
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.61
LogP (Chemaxon):1.05

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Experimental Annotations

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Descriptor Annotations

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