Chemical ID: 4207067

c1cc(cc(c1)Br)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccc(cc4)F
Chemical ID:
4207067
Name [?]:
5-(3-bromophenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
c1cc(cc(c1)Br)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H16BrFN2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.96338
Area:615.464
Solvation:-5.42321
Coulombic:-51.9903
Bond Count [?]
All:33
Single:21
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:467.287
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.62
LogP (Chemaxon):2.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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