ChemDB: Chemical Search
Download
Chemical ID: 4213991
Chemical ID:
4213991
Name [?]:
dimethyl 4-(3-ethoxy-4-hydroxy-phenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate
SMILES [?]:
CCOc1cc(ccc1O)C2C(=CN(C=C2C(=O)OC)CCOC)C(=O)OC
InChi [?]:
InChI=1/C20H25NO7/c1-5-28-17-10-13(6-7-16(17)22)18-14(19(23)26-3)11-21(8-9-25-2)12-15(18)20(24)27-4/h6-7,10-12,18,22H,5,8-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,20,28,2,7,8,21,22,5,15,13,6,16,12,9,4,11,17,25,14,10,18,26,23,19,27,3/E:(3,4)(11,12)(14,15)(19,20)(23,24)(26,27)/rA:28nCCOCCCCCCOCCCNCCCOOCCCOCCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;d12;s13;s14;s11d15;s16;d17;s17;s19;s14;s21;s22;s23;s12;d25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO7 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.15443 |
Area: | 589.832 |
Solvation: | -6.59137 |
Coulombic: | -74.9413 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 391.415 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 2.05 |
LogP (Chemaxon): | 1.16 |
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 |
---|