Chemical ID: 5663993

Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3ccc(c(c3)OC)OC)O
Chemical ID:
5663993
Name [?]:
5-(3,4-dimethoxyphenyl)-4-[hydroxy-(p-tolyl)methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3ccc(c(c3)OC)OC)O
InChi [?]:
InChI=1/C23H25NO6/c1-14-5-7-15(8-6-14)21(25)19-20(24(11-12-28-2)23(27)22(19)26)16-9-10-17(29-3)18(13-16)30-4/h5-10,13,20,25H,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,29,27,3,7,4,6,21,22,16,17,25,2,5,20,23,24,9,10,8,14,12,11,30,15,13,18,28,26/E:(5,6)(7,8)/rA:30cCCCCCCCCCCNCOCOCCOCCCCCCCOCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;s11;d12;s9s12;d14;s11;s16;s17;s18;s10;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO6
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:5.75008
Area:578.67
Solvation:-8.71667
Coulombic:-64.6983
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:411.448
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.36
LogP (Chemaxon):1.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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