Chemical ID: 7439732

COCCCN1C(C(=C(c2ccc(cc2)OCC=C)O)C(=O)C1=O)c3ccc(c(c3)OC)O
Chemical ID:
7439732
Name [?]:
4-[(4-allyloxyphenyl)-hydroxy-methylene]-5-(4-hydroxy-3-methoxy-phenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILES [?]:
COCCCN1C(C(=C(c2ccc(cc2)OCC=C)O)C(=O)C1=O)c3ccc(c(c3)OC)O
InChi [?]:
InChI=1/C25H27NO7/c1-4-13-33-18-9-6-16(7-10-18)23(28)21-22(17-8-11-19(27)20(15-17)32-3)26(12-5-14-31-2)25(30)24(21)29/h4,6-11,15,22,27-28H,1,5,12-14H2,2-3H3
InChi Info:
AuxInfo=1/0/N:19,1,32,18,4,11,15,26,12,14,27,5,17,3,30,10,25,13,28,29,8,7,9,21,23,6,33,20,22,24,2,31,16/E:(6,7)(9,10)/rA:33cCOCCCNCCCCCCCCCOCCCOCOCOCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;w8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s9;s8;d21;s6s21;d23;s7;s25;d26;s27;d28;d25s29;s29;s31;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27NO7
All Atoms:60
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:7.27972
Area:668.72
Solvation:-9.43827
Coulombic:-82.3711
Bond Count [?]
All:35
Single:25
Double:10
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:453.484
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.76
LogP (Chemaxon):1.61

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Descriptor Annotations

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