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Chemical ID: 7191674
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
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Experimental Annotations
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Descriptor Annotations
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