[Synonyms]
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: (4S,
5R)-5-(2-fluorophenyl)-1-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enoyl]
pyrrolidine-2,3-dione
Canonical SMILES: CC1=CC=C(C=C1)N2C(C(C(=O)C2=O)C(=O)C=CC3=CC=CC=C3)C4=CC=CC=C4F
Isomeric SMILES: CC1=CC=C(C=C1)N2[C@H]([C@H](C(=O)C2=O)C(=O)\C=C\C3=CC=CC=C3)C4=CC=CC=C4F
InChI: InChI=1/C26H20FNO3/c1-17-11-14-19(15-12-17)28-24(20-9-5-6-10-21(20)27)23
(25(30)26(28)31)22(29)16-13-18-7-3-2-4-8-18/h2-16,23-24H,
1H3/b16-13+/t23-,24+/m1/s1
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 413.440303 [g/mol] |
| Molecular Formula | C26H20FNO3 |
| XLogP | 4.4 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 4 |
| Rotatable Bond Count | 5 |
| Tautomer Count | 3 |
| Exact Mass | 413.142722 |
| MonoIsotopic Mass | 413.142722 |
| Topological Polar Surface Area | 54.5 |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 705 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 2 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 1 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: (4S,
5R)-5-(2-fluorophenyl)-1-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enoyl]
pyrrolidine-2,3-dione
Canonical SMILES: CC1=CC=C(C=C1)N2C(C(C(=O)C2=O)C(=O)C=CC3=CC=CC=C3)C4=CC=CC=C4F
Isomeric SMILES: CC1=CC=C(C=C1)N2[C@H]([C@H](C(=O)C2=O)C(=O)\C=C\C3=CC=CC=C3)C4=CC=CC=C4F
InChI: InChI=1/C26H20FNO3/c1-17-11-14-19(15-12-17)28-24(20-9-5-6-10-21(20)27)23
(25(30)26(28)31)22(29)16-13-18-7-3-2-4-8-18/h2-16,23-24H,
1H3/b16-13+/t23-,24+/m1/s1
