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Chemical ID: 5707151
Chemical ID:
5707151
Name [?]:
4-[hydroxy-(p-tolyl)methylene]-1-(2-methoxyethyl)-5-(3-methoxyphenyl)-pyrrolidine-2,3-dione
SMILES [?]:
Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3cccc(c3)OC)O
InChi [?]:
InChI=1/C22H23NO5/c1-14-7-9-15(10-8-14)20(24)18-19(16-5-4-6-17(13-16)28-3)23(11-12-27-2)22(26)21(18)25/h4-10,13,19,24H,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,27,22,21,23,3,7,4,6,16,17,25,2,5,20,24,9,10,8,14,12,11,28,15,13,18,26/E:(7,8)(9,10)/rA:28cCCCCCCCCCCNCOCOCCOCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;s11;d12;s9s12;d14;s11;s16;s17;s18;s10;s20;d21;s22;d23;d20s24;s24;s26;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23NO5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.04349 |
Area: | 550.053 |
Solvation: | -6.70784 |
Coulombic: | -58.575 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 381.422 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.72 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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