Chemical ID: 7459935

COCCCN1C(C(=C(c2ccc(cc2)OCC=C)O)C(=O)C1=O)c3cccnc3
Chemical ID:
7459935
Name [?]:
4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-(3-methoxypropyl)-5-(3-pyridyl)pyrrolidine-2,3-dione
SMILES [?]:
COCCCN1C(C(=C(c2ccc(cc2)OCC=C)O)C(=O)C1=O)c3cccnc3
InChi [?]:
InChI=1/C23H24N2O5/c1-3-13-30-18-9-7-16(8-10-18)21(26)19-20(17-6-4-11-24-15-17)25(12-5-14-29-2)23(28)22(19)27/h3-4,6-11,15,20,26H,1,5,12-14H2,2H3
InChi Info:
AuxInfo=1/0/N:19,1,18,27,4,26,11,15,12,14,28,5,17,3,30,10,25,13,8,7,9,21,23,29,6,20,22,24,2,16/E:(7,8)(9,10)/rA:30cCOCCCNCCCCCCCCCOCCCOCOCOCCCCNC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N2O5
All Atoms:54
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.19801
Area:624.945
Solvation:-7.4256
Coulombic:-63.5879
Bond Count [?]
All:32
Single:22
Double:10
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:408.447
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.0
LogP (Chemaxon):0.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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