ChemDB: Chemical Search
Download
Chemical ID: 4522911
Chemical ID:
4522911
Name [?]:
methyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=O)N1C)c2ccc(c(c2)OC)OC)C(=O)OC
InChi [?]:
InChI=1/C16H20N2O5/c1-9-13(15(19)23-5)14(17-16(20)18(9)2)10-6-7-11(21-3)12(8-10)22-4/h6-8,14H,1-5H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,9,19,17,23,11,12,15,2,10,13,14,3,4,20,6,5,8,21,7,18,16,22/rA:23cCCCCNCONCCCCCCCOCOCCOOC/rB:s1;d2;s3;s4;s5;d6;s2s6;s8;s4;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s3;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.4869 |
Area: | 486.655 |
Solvation: | -5.67946 |
Coulombic: | -62.8212 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 320.34 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 0.62 |
LogP (Chemaxon): | -0.04 |
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 |
---|