ChemDB: Chemical Search
Download
Chemical ID: 5664090
Chemical ID:
5664090
Name [?]:
5-(3-hydroxyphenyl)-4-[hydroxy-(p-tolyl)methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3cccc(c3)O)O
InChi [?]:
InChI=1/C21H21NO5/c1-13-6-8-14(9-7-13)19(24)17-18(15-4-3-5-16(23)12-15)22(10-11-27-2)21(26)20(17)25/h3-9,12,18,23-24H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,22,21,23,3,7,4,6,16,17,25,2,5,20,24,9,10,8,14,12,11,26,27,15,13,18/E:(6,7)(8,9)/rA:27cCCCCCCCCCCNCOCOCCOCCCCCCCOO/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;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.08414 |
Area: | 529.46 |
Solvation: | -6.15236 |
Coulombic: | -67.449 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 367.395 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.4 |
LogP (Chemaxon): | 1.79 |
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 |
---|