Chemical ID: 5185447

Cc1ccc(cc1)CC2CC(=O)N(C2=O)c3ccncc3
Chemical ID:
5185447
Name [?]:
3-(p-tolylmethyl)-1-(4-pyridyl)pyrrolidine-2,5-dione
SMILES [?]:
Cc1ccc(cc1)CC2CC(=O)N(C2=O)c3ccncc3
InChi [?]:
InChI=1/C17H16N2O2/c1-12-2-4-13(5-3-12)10-14-11-16(20)19(17(14)21)15-6-8-18-9-7-15/h2-9,14H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,17,21,18,20,8,10,2,5,9,16,11,14,19,13,12,15/E:(2,3)(4,5)(6,7)(8,9)/rA:21cCCCCCCCCCCCONCOCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s11;s9s13;d14;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.21449
Area:460.561
Solvation:-3.29955
Coulombic:-28.0503
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:280.321
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.66
LogP (Chemaxon):2.18

Name Annotations

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Descriptor Annotations

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