ethyl 6-[(4-formylbenzoyl)oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

HCID 5223333

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5474-47-5
Standard SMILES: CCOC(=O)C1=C(COC(=O)c2ccc(C=O)cc2)NC(=O)NC1c1cccs1
InChIKey: HTHFFKTZEGYXSY-UHFFFAOYSA-N
Molecular formula: C20H18N2O6S
Average molar mass: 414.4 g/mol
Monoisotopic mass: 414.08855747

Names & identifiers

Preferred name: ethyl 6-[(4-formylbenzoyl)oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC: ethyl 6-[(4-formylbenzoyl)oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Names & synonyms

5474-47-5ethyl 6-[(4-formylbenzoyl)oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylateDTXSID30411221AKOS001049112EN300-1186803T5214266Z18297467732988-75-9ethyl 6-[(4-formylbenzoyloxy)methyl]-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylateEthyl 6-{[(4-formylbenzoyl)oxy]methyl}-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Database identifiers

CAS: 5474-47-5
PubChem CID: 5223333
DTXSID: DTXSID30411221

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 139 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 29
Formal charge: 0
Complexity: 686

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…