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Chemical ID: 7180478
Chemical ID:
7180478
Name [?]:
4-benzoyl-5-(4-iodophenyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
COCCN1C(C(C(=O)C1=O)C(=O)c2ccccc2)c3ccc(cc3)I
InChi [?]:
InChI=1/C20H18INO4/c1-26-12-11-22-17(13-7-9-15(21)10-8-13)16(19(24)20(22)25)18(23)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,21,25,22,24,4,3,20,14,23,7,6,12,8,10,26,5,13,9,11,2/E:(3,4)(5,6)(7,8)(9,10)/rA:26cCOCCNCCCOCOCOCCCCCCCCCCCCI/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;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18INO4 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.10718 |
Area: | 590.046 |
Solvation: | -5.64396 |
Coulombic: | -42.5099 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 463.266 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.88 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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