Chemical ID: 7453253

COCCCN1C(C(=C(c2ccc(cc2)OCC=C)O)C(=O)C1=O)c3ccc(cc3)O
Chemical ID:
7453253
Name [?]:
4-[(4-allyloxyphenyl)-hydroxy-methylene]-5-(4-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILES [?]:
COCCCN1C(C(=C(c2ccc(cc2)OCC=C)O)C(=O)C1=O)c3ccc(cc3)O
InChi [?]:
InChI=1/C24H25NO6/c1-3-14-31-19-11-7-17(8-12-19)22(27)20-21(16-5-9-18(26)10-6-16)25(13-4-15-30-2)24(29)23(20)28/h3,5-12,21,26-27H,1,4,13-15H2,2H3
InChi Info:
AuxInfo=1/0/N:19,1,18,4,26,30,11,15,27,29,12,14,5,17,3,25,10,28,13,8,7,9,21,23,6,31,20,22,24,2,16/E:(5,6)(7,8)(9,10)(11,12)/rA:31cCOCCCNCCCCCCCCCOCCCOCOCOCCCCCCO/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;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25NO6
All Atoms:56
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:8.51781
Area:643.354
Solvation:-7.56605
Coulombic:-76.0556
Bond Count [?]
All:33
Single:23
Double:10
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:423.458
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.85
LogP (Chemaxon):1.86

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Descriptor Annotations

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