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Chemical ID: 4304940
Chemical ID:
4304940
Name [?]:
3-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenyl-pyrrolidine-2,5-dione
SMILES [?]:
c1ccc(cc1)N2C(=O)CC(C2=O)N3CCN(CC3)c4ccccc4F
InChi [?]:
InChI=1/C20H20FN3O2/c21-16-8-4-5-9-17(16)22-10-12-23(13-11-22)18-14-19(25)24(20(18)26)15-6-2-1-3-7-15/h1-9,18H,10-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,23,22,3,5,24,21,16,18,15,19,10,4,25,20,11,8,12,26,17,14,7,9,13/E:(2,3)(6,7)(10,11)(12,13)/rA:26cCCCCCCNCOCCCONCCNCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s7s11;d12;s11;s14;s15;s16;s17;s14s18;s17;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20FN3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.5008 |
Area: | 541.395 |
Solvation: | -5.03408 |
Coulombic: | -40.5804 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 353.39 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.51 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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