| CAS Number | 1565827-86-2 |
| Catalog Number | AG00IS35(AGN-PC-0WAYVI) |
| Chemical Name | methyl 1-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate |
| IUPAC Name | methyl 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate |
| InChI | InChI=1S/C15H14N2O6/c1-21-14(19)10-7-13(18)17(15(20)16-10)5-4-9-2-3-11-12(6-9)23-8-22-11/h2-3,6-7H,4-5,8H2,1H3,(H,16,20) |
| InChI Key | ZOLCAQYXISMYAG-UHFFFAOYSA-N |
| MDL Number | MFCD27957327 |
| Molecular Formula | C15H14N2O6 |
| Molecular Weight | 318.2815 |
| SMILES | O=C1(N(C(=O)C=C(N1)C(=O)OC)CCC3(=CC=2(OCOC=2C=C3))) |
| Synonyms | 1565827-86-2,
methyl 1-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate,
KS-000023RN,
ZINC95929118,
AKOS022168296,
CF-0041,
OR310504,
|
| Complexity | 546 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.285g/mol |
| Monoisotopic Mass | 318.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 94.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number