ChemDB: Chemical Search
Download
Chemical ID: 4842705
Chemical ID:
4842705
Name [?]:
1-(2,5-dimethylphenyl)-5-[(2,4,5-trimethoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=Cc3cc(c(cc3OC)OC)OC)C(=O)NC2=O)C
InChi [?]:
InChI=1/C22H22N2O6/c1-12-6-7-13(2)16(8-12)24-21(26)15(20(25)23-22(24)27)9-14-10-18(29-4)19(30-5)11-17(14)28-3/h6-11H,1-5H3,(H,23,25,27)
InChi Info:
AuxInfo=1/1/N:1,30,20,24,22,3,4,7,12,14,17,2,5,13,11,6,18,15,16,25,9,28,27,8,26,10,29,19,23,21/rA:30nCCCCCCCNCOCCCCCCCCOCOCOCCONCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;s15;s23;s11;d25;s25;s8s27;d28;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22N2O6 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.24979 |
Area: | 595.009 |
Solvation: | -7.62545 |
Coulombic: | -67.8094 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 410.42 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.79 |
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 |
---|