ChemDB: Chemical Search
Download
Chemical ID: 4565413
Chemical ID:
4565413
Name [?]:
5-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1,5-dihydropyrrol-2-one
SMILES [?]:
COc1ccc(cc1)C(=O)C2=C(C(=O)NC2c3ccc(cc3OC)OC)O
InChi [?]:
InChI=1/C20H19NO6/c1-25-12-6-4-11(5-7-12)18(22)16-17(21-20(24)19(16)23)14-9-8-13(26-2)10-15(14)27-3/h4-10,17,23H,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,26,24,5,7,4,8,19,18,21,6,3,20,17,22,11,16,9,12,13,15,10,27,14,2,25,23/E:(4,5)(6,7)/rA:27cCOCCCCCCCOCCCONCCCCCCCOCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;d11;s12;d13;s13;s11s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s20;s25;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO6 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.25495 |
Area: | 552.286 |
Solvation: | -6.55221 |
Coulombic: | -68.7051 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 369.368 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.8 |
LogP (Chemaxon): | 1.22 |
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 |
---|