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Chemical ID: 7187750
Chemical ID:
7187750
Name [?]:
5-(4-ethoxyphenyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(c3ccc(c(c3)C)OC)O)C(=O)C(=O)N2CCOC
InChi [?]:
InChI=1/C24H27NO6/c1-5-31-18-9-6-16(7-10-18)21-20(23(27)24(28)25(21)12-13-29-3)22(26)17-8-11-19(30-4)15(2)14-17/h6-11,14,21,26H,5,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,31,21,2,6,8,14,5,9,15,28,29,18,17,7,13,4,16,11,10,12,23,25,27,22,24,26,30,20,3/E:(6,7)(9,10)/rA:31cCCOCCCCCCCCCCCCCCCCOCOCOCONCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;w11;s12;s13;d14;s15;d16;d13s17;s17;s16;s20;s12;s11;d23;s23;d25;s10s25;s27;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27NO6 |
All Atoms: | 58 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.38578 |
Area: | 605.901 |
Solvation: | -6.76174 |
Coulombic: | -65.625 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 425.474 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.84 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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