(5E)-5-[(5-bromofuran-2-yl)methylidene]-1-(4-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

HCID 2256830

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Basic information

CAS: 340213-94-7
Standard SMILES: O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)o1
InChIKey: RYXDAFVLFWSHAN-YRNVUSSQSA-N
Molecular formula: C15H8BrClN2O3S
Average molar mass: 411.7 g/mol
Monoisotopic mass: 409.91275

Names & identifiers

Preferred name: (5E)-5-[(5-bromofuran-2-yl)methylidene]-1-(4-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
IUPAC: (5E)-5-[(5-bromofuran-2-yl)methylidene]-1-(4-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Names & synonyms

STK189385340213-94-7(5E)-5-[(5-bromofuran-2-yl)methylidene]-1-(4-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dioneProbes1_000464Probes2_000203DTXSID30367330NSC727411AKOS000410491NSC-727411(5E)-5-[(5-bromofuran-2-yl)methylidene]-1-(4-chlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione5-[(5-bromo-2-furyl)methylene]-1-(4-chlorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

Database identifiers

CAS: 340213-94-7
PubChem CID: 2256830
DTXSID: DTXSID30367330

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 94.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 563

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