1-(4,6-Dimethyl-1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione

HCID 5230738

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Basic information

CAS: 7018-58-8
Standard SMILES: CCOc1ccc(C2C(=C(O)c3cccc(OC)c3)C(=O)C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1OC
InChIKey: RWAWOOLQYLEWPM-UHFFFAOYSA-N
Molecular formula: C30H28N2O6S
Average molar mass: 544.6 g/mol
Monoisotopic mass: 544.16680779

Names & identifiers

Preferred name: 1-(4,6-Dimethyl-1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
IUPAC: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione

Names & synonyms

7018-58-8DTXSID904117671-(4,6-Dimethyl-1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione

Database identifiers

CAS: 7018-58-8
PubChem CID: 5230738
DTXSID: DTXSID90411767

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 126 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 39
Formal charge: 0
Complexity: 944

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