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Chemical ID: 7033758
Chemical ID:
7033758
Name [?]:
5-(3,4-diethoxyphenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OCC)OCC)CCOC)O
InChi [?]:
InChI=1/C26H31NO7/c1-5-32-19-11-8-17(9-12-19)24(28)22-23(27(14-15-31-4)26(30)25(22)29)18-10-13-20(33-6-2)21(16-18)34-7-3/h8-13,16,23,29H,5-7,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,26,33,2,28,25,6,8,19,5,9,20,30,31,23,7,18,4,21,22,12,17,10,13,14,16,11,34,15,32,3,27,24/E:(8,9)(11,12)/rA:34cCCOCCCCCCCOCCCONCCCCCCCOCCOCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s25;s21;s27;s28;s16;s30;s31;s32;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H31NO7 |
All Atoms: | 65 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.06408 |
Area: | 724.671 |
Solvation: | -9.05269 |
Coulombic: | -72.078 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 469.527 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.75 |
LogP (Chemaxon): | 2.33 |
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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