ChemDB: Chemical Search
Download
Chemical ID: 5663993
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|