Chemical ID: 5688266

CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3ccc(c(c3)OCC)O)O
Chemical ID:
5688266
Name [?]:
5-(3-ethoxy-4-hydroxy-phenyl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3ccc(c(c3)OCC)O)O
InChi [?]:
InChI=1/C24H27NO7/c1-4-31-17-9-6-15(7-10-17)22(27)20-21(25(12-13-30-3)24(29)23(20)28)16-8-11-18(26)19(14-16)32-5-2/h6-11,14,21,26-27H,4-5,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,21,2,29,6,8,23,5,9,24,18,19,27,7,22,4,25,26,11,12,10,16,14,13,31,32,17,15,20,3,28/E:(6,7)(9,10)/rA:32cCCOCCCCCCCCCNCOCOCCOCCCCCCCOCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s12;s22;d23;s24;d25;d22s26;s26;s28;s29;s25;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27NO7
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:6.86641
Area:624.349
Solvation:-8.74231
Coulombic:-81.0656
Bond Count [?]
All:34
Single:25
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:441.474
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.64
LogP (Chemaxon):1.5

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Descriptor Annotations

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