ChemDB: Chemical Search
Download
Chemical ID: 4148821
Chemical ID:
4148821
Name [?]:
dimethyl 4-(4-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC
InChi [?]:
InChI=1/C19H23NO5/c1-6-25-14-9-7-13(8-10-14)17-15(18(21)23-4)11(2)20-12(3)16(17)19(22)24-5/h7-10,17,20H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,20,21,19,25,2,6,8,5,9,14,12,7,4,15,11,10,16,22,13,17,23,18,24,3/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(18,19)(21,22)(23,24)/rA:25nCCOCCCCCCCCCNCCCOOCCCCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;s10d14;s15;d16;s16;s18;s14;s12;s11;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3058 |
Area: | 526.202 |
Solvation: | -3.84924 |
Coulombic: | -56.6441 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 345.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.82 |
LogP (Chemaxon): | 0.38 |
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 |
---|