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Chemical ID: 5690755
Chemical ID:
5690755
Name [?]:
4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(2-methoxyethyl)-5-(3,4,5-trimethoxyphenyl)-pyrrolidine-2,3-dione
SMILES [?]:
Cc1cc(ccc1OC)C(=C2C(N(C(=O)C2=O)CCOC)c3cc(c(c(c3)OC)OC)OC)O
InChi [?]:
InChI=1/C25H29NO8/c1-14-11-15(7-8-17(14)31-3)22(27)20-21(26(9-10-30-2)25(29)23(20)28)16-12-18(32-4)24(34-6)19(13-16)33-5/h7-8,11-13,21,27H,9-10H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,21,9,29,33,31,5,6,18,19,3,27,23,2,4,22,7,26,24,11,12,10,16,25,14,13,34,17,15,20,8,28,32,30/E:(4,5)(12,13)(18,19)(32,33)/rA:34cCCCCCCCOCCCCNCOCOCCOCCCCCCCOCOCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s12;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s24;s32;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29NO8 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 3.84837 |
Area: | 621.857 |
Solvation: | -11.6981 |
Coulombic: | -77.2559 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 471.5 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 1.85 |
LogP (Chemaxon): | 1.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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