Chemical ID: 4253206

c1cc(cc(c1)F)N2C(=O)CC(C2=O)N3CCN(CC3)C4CC(=O)N(C4=O)c5cccc(c5)F
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

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