Chemical ID: 4818145

Cc1cccc(c1)N2C(=O)CC(C2=O)N3CCN(CC3)c4ccccc4F
Chemical ID:
4818145
Name [?]:
3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(m-tolyl)pyrrolidine-2,5-dione
SMILES [?]:
Cc1cccc(c1)N2C(=O)CC(C2=O)N3CCN(CC3)c4ccccc4F
InChi [?]:
InChI=1/C21H22FN3O2/c1-15-5-4-6-16(13-15)25-20(26)14-19(21(25)27)24-11-9-23(10-12-24)18-8-3-2-7-17(18)22/h2-8,13,19H,9-12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,4,3,5,25,22,17,19,16,20,7,11,2,6,26,21,12,9,13,27,18,15,8,10,14/E:(9,10)(11,12)/rA:27cCCCCCCCNCOCCCONCCNCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s8s12;d13;s12;s15;s16;s17;s18;s15s19;s18;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22FN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.02495
Area:562.746
Solvation:-5.04369
Coulombic:-40.3524
Bond Count [?]
All:30
Single:22
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:367.417
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.94
LogP (Chemaxon):3.41

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Descriptor Annotations

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