N-[4-(2-chloroacetyl)phenyl]-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide

HCID 333073

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Basic information

CAS: 80647-04-7
Standard SMILES: Cc1cn(C2CC(O)C(C(=O)Nc3ccc(C(=O)CCl)cc3)O2)c(=O)[nH]c1=O
InChIKey: DPXKPKOKTUWXPA-UHFFFAOYSA-N
Molecular formula: C18H18ClN3O6
Average molar mass: 407.8 g/mol
Monoisotopic mass: 407.088413

Names & identifiers

Preferred name: N-[4-(2-chloroacetyl)phenyl]-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide
IUPAC: N-[4-(2-chloroacetyl)phenyl]-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide

Names & synonyms

NSC33288280647-04-7CHEMBL159051DTXSID60318597NSC-332882N-[4-(Chloroacetyl)phenyl]-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolane-2-carboxamide

Database identifiers

CAS: 80647-04-7
PubChem CID: 333073
DTXSID: DTXSID60318597
ChEMBL: CHEMBL159051

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 125 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 703

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