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Chemical ID: 5655260
Chemical ID:
5655260
Name [?]:
5-(3-ethoxy-4-hydroxy-phenyl)-4-[hydroxy-(4-methoxy-2-methyl-phenyl)-methylene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILES [?]:
CCOc1cc(ccc1O)C2C(=C(c3ccc(cc3C)OC)O)C(=O)C(=O)N2CCCOC
InChi [?]:
InChI=1/C25H29NO7/c1-5-33-20-14-16(7-10-19(20)27)22-21(24(29)25(30)26(22)11-6-12-31-3)23(28)18-9-8-17(32-4)13-15(18)2/h7-10,13-14,22,27-28H,5-6,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,33,22,2,30,7,16,15,8,29,31,18,5,19,6,17,14,9,4,12,11,13,24,26,28,10,23,25,27,32,21,3/rA:33cCCOCCCCCCOCCCCCCCCCCOCOCOCONCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s17;s21;s13;s12;d24;s24;d26;s11s26;s28;s29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29NO7 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.62333 |
Area: | 647.615 |
Solvation: | -8.56705 |
Coulombic: | -81.3373 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 455.5 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.01 |
LogP (Chemaxon): | 1.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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