Chemical ID: 5658678

Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCc3ccccc3)c4ccc(cc4)F)O
Chemical ID:
5658678
Name [?]:
5-(4-fluorophenyl)-4-[hydroxy-(p-tolyl)methylene]-1-phenethyl-pyrrolidine-2,3-dione
SMILES [?]:
Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCc3ccccc3)c4ccc(cc4)F)O
InChi [?]:
InChI=1/C26H22FNO3/c1-17-7-9-20(10-8-17)24(29)22-23(19-11-13-21(27)14-12-19)28(26(31)25(22)30)16-15-18-5-3-2-4-6-18/h2-14,23,29H,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,22,19,23,3,7,4,6,25,29,26,28,17,16,2,18,24,5,27,9,10,8,14,12,30,11,31,15,13/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:31cCCCCCCCCCCNCOCOCCCCCCCCCCCCCCFO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;s11;d12;s9s12;d14;s11;s16;s17;s18;d19;s20;d21;d18s22;s10;s24;d25;s26;d27;d24s28;s27;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H22FNO3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.4009
Area:600.659
Solvation:-4.61559
Coulombic:-50.6041
Bond Count [?]
All:34
Single:22
Double:12
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:415.456
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.02
LogP (Chemaxon):4.41

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Descriptor Annotations

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