ChemDB: Chemical Search
Download
Chemical ID: 4419619
Chemical ID:
4419619
Name [?]:
4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(p-tolyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C26H30N2O6/c1-17-4-6-18(7-5-17)23-22(24(29)19-8-9-20(32-2)21(16-19)33-3)25(30)26(31)28(23)11-10-27-12-14-34-15-13-27/h4-9,16,23,30H,10-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,34,32,3,7,4,6,26,27,15,14,17,21,18,20,30,2,5,25,28,29,9,8,23,10,11,16,13,24,22,12,33,31,19/E:(4,5)(6,7)(12,13)(14,15)/rA:34cCCCCCCCCCCCONCCNCCOCCOCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s8s11;s13;s14;s15;s16;s17;s18;s19;s16s20;s10;s9;d23;s23;s25;d26;s27;d28;d25s29;s29;s31;s28;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H30N2O6 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.87396 |
Area: | 710.922 |
Solvation: | -8.89908 |
Coulombic: | -69.4605 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 466.526 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 2.65 |
LogP (Chemaxon): | 0.51 |
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 |
---|