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Chemical ID: 4253206
Chemical ID:
4253206
Name [?]:
1-(3-fluorophenyl)-3-[4-[1-(3-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-1-yl]-pyrrolidine-2,5-dione
SMILES [?]:
c1cc(cc(c1)F)N2C(=O)CC(C2=O)N3CCN(CC3)C4CC(=O)N(C4=O)c5cccc(c5)F
InChi [?]:
InChI=1/C24H22F2N4O4/c25-15-3-1-5-17(11-15)29-21(31)13-19(23(29)33)27-7-9-28(10-8-27)20-14-22(32)30(24(20)34)18-6-2-4-16(26)12-18/h1-6,11-12,19-20H,7-10,13-14H2
InChi Info:
AuxInfo=1/0/N:1,30,6,31,2,29,16,20,17,19,4,33,11,22,5,32,3,28,12,21,9,23,13,26,7,34,15,18,8,25,10,24,14,27/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/rA:34cCCCCCCFNCOCCCONCCNCCCCCONCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s8s12;d13;s12;s15;s16;s17;s18;s15s19;s18;s21;s22;d23;s23;s21s25;d26;s25;s28;d29;s30;d31;d28s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22F2N4O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.00638 |
Area: | 651.018 |
Solvation: | -7.26907 |
Coulombic: | -64.2055 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 468.453 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 0.97 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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