Chemical ID: 7191674

COCCN1C(C(C(=O)C1=O)C(=O)c2ccccc2)c3cccc4c3cccc4
Chemical ID:
7191674
Name [?]:
4-benzoyl-1-(2-methoxyethyl)-5-(1-naphthyl)pyrrolidine-2,3-dione
SMILES [?]:
COCCN1C(C(C(=O)C1=O)C(=O)c2ccccc2)c3cccc4c3cccc4
InChi [?]:
InChI=1/C24H21NO4/c1-29-15-14-25-21(19-13-7-11-16-8-5-6-12-18(16)19)20(23(27)24(25)28)22(26)17-9-3-2-4-10-17/h2-13,20-21H,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,28,27,22,29,15,19,23,26,21,4,3,24,14,25,20,7,6,12,8,10,5,13,9,11,2/E:(3,4)(9,10)/rA:29cCOCCNCCCOCOCOCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s5s8;d10;s7;d12;s12;s14;d15;s16;d17;d14s18;s6;s20;d21;s22;d23;d20s24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21NO4
All Atoms:50
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:9.02684
Area:584.626
Solvation:-5.5888
Coulombic:-43.7256
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:387.428
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.08
LogP (Chemaxon):3.83

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue