Chemical ID: 5708889

c1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3ccco3)c4ccc(cc4)F)O
Chemical ID:
5708889
Name [?]:
5-(4-fluorophenyl)-1-(2-furylmethyl)-4-(hydroxy-phenyl-methylene)-pyrrolidine-2,3-dione
SMILES [?]:
c1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3ccco3)c4ccc(cc4)F)O
InChi [?]:
InChI=1/C22H16FNO4/c23-16-10-8-14(9-11-16)19-18(20(25)15-5-2-1-3-6-15)21(26)22(27)24(19)13-17-7-4-12-28-17/h1-12,19,25H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,18,3,5,17,22,26,23,25,19,15,21,4,24,16,8,9,7,13,11,27,10,28,14,12,20/E:(2,3)(5,6)(8,9)(10,11)/rA:28cCCCCCCCCCNCOCOCCCCCOCCCCCCFO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;s10;d11;s8s11;d13;s10;s15;d16;s17;d18;s16s19;s9;s21;d22;s23;d24;d21s25;s24;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16FNO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:7.68896
Area:511.395
Solvation:-5.09592
Coulombic:-55.5788
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:377.365
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.12
LogP (Chemaxon):2.64

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Descriptor Annotations

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