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Chemical ID: 5688266
Chemical ID:
5688266
Name [?]:
5-(3-ethoxy-4-hydroxy-phenyl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3ccc(c(c3)OCC)O)O
InChi [?]:
InChI=1/C24H27NO7/c1-4-31-17-9-6-15(7-10-17)22(27)20-21(25(12-13-30-3)24(29)23(20)28)16-8-11-18(26)19(14-16)32-5-2/h6-11,14,21,26-27H,4-5,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,21,2,29,6,8,23,5,9,24,18,19,27,7,22,4,25,26,11,12,10,16,14,13,31,32,17,15,20,3,28/E:(6,7)(9,10)/rA:32cCCOCCCCCCCCCNCOCOCCOCCCCCCCOCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s12;s22;d23;s24;d25;d22s26;s26;s28;s29;s25;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27NO7 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.86641 |
Area: | 624.349 |
Solvation: | -8.74231 |
Coulombic: | -81.0656 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 441.474 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.64 |
LogP (Chemaxon): | 1.5 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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