ChemDB: Chemical Search
Download
Chemical ID: 4938704
Chemical ID:
4938704
Name [?]:
6-benzyl-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
SMILES [?]:
CCc1c(n(c(=O)[nH]c1=O)COCCO)Cc2ccccc2
InChi [?]:
InChI=1/C16H20N2O4/c1-2-13-14(10-12-6-4-3-5-7-12)18(11-22-9-8-19)16(21)17-15(13)20/h3-7,19H,2,8-11H2,1H3,(H,17,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,18,22,14,13,16,11,17,3,4,9,6,8,5,15,10,7,12/E:(4,5)(6,7)/rA:22nCCCCNCONCOCOCCOCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s3s8;d9;s5;s11;s12;s13;s14;s4;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.17255 |
Area: | 488.672 |
Solvation: | -6.04426 |
Coulombic: | -62.1311 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.341 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.88 |
LogP (Chemaxon): | 2.32 |
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 |
---|