ChemDB: Chemical Search
Download
Chemical ID: 4882293
Chemical ID:
4882293
Name [?]:
5-(2,5-dimethoxyphenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cc(ccc3OC)OC)CCOCCO)O
InChi [?]:
InChI=1/C25H29NO8/c1-4-34-17-7-5-16(6-8-17)23(28)21-22(19-15-18(31-2)9-10-20(19)32-3)26(25(30)24(21)29)11-13-33-14-12-27/h5-10,15,22,27,29H,4,11-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,25,2,6,8,5,9,21,22,28,32,29,31,19,7,4,20,18,23,12,17,10,13,14,16,33,11,34,15,26,24,30,3/E:(5,6)(7,8)/rA:34cCCOCCCCCCCOCCCONCCCCCCCOCOCCCOCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s23;s24;s20;s26;s16;s28;s29;s30;s31;s32;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29NO8 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.50527 |
Area: | 685.909 |
Solvation: | -9.64245 |
Coulombic: | -88.0351 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 471.5 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 2.47 |
LogP (Chemaxon): | 1.2 |
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 |
---|