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Chemical ID: 7191072
Chemical ID:
7191072
Name [?]:
5-(4-ethoxyphenyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(c3ccc(c(c3)C)OC)O)C(=O)C(=O)N2CCCOC
InChi [?]:
InChI=1/C25H29NO6/c1-5-32-19-10-7-17(8-11-19)22-21(24(28)25(29)26(22)13-6-14-30-3)23(27)18-9-12-20(31-4)16(2)15-18/h7-12,15,22,27H,5-6,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,32,21,2,29,6,8,14,5,9,15,28,30,18,17,7,13,4,16,11,10,12,23,25,27,22,24,26,31,20,3/E:(7,8)(10,11)/rA:32cCCOCCCCCCCCCCCCCCCCOCOCOCONCCCOC/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;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29NO6 |
All Atoms: | 61 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.77001 |
Area: | 656.567 |
Solvation: | -7.64417 |
Coulombic: | -65.7845 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 439.501 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.2 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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