3-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(2-nitrophenyl)-1,3-thiazolidin-4-one

HCID 2859983

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Basic information

CAS: 5668-30-4
Standard SMILES: COc1ccc(CCN2C(=O)CSC2c2ccccc2[N+](=O)[O-])cc1OC
InChIKey: BKQWZTUDYJJDNF-UHFFFAOYSA-N
Molecular formula: C19H20N2O5S
Average molar mass: 388.4 g/mol
Monoisotopic mass: 388.10929292

Names & identifiers

Preferred name: 3-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitrophenyl)-1,3-thiazolidin-4-one

Names & synonyms

5668-30-43-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitrophenyl)-1,3-thiazolidin-4-one3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{2-nitrophenyl}-1,3-thiazolidin-4-oneCBMicro_027567ChemDiv1_000864Oprea1_085969Oprea1_870168HMS589H06DTXSID70386343STK374935AKOS000599546AKOS021985863

Show more names

BIM-0027522.P001EU-0035691ST51057351AG-690/11823013SR-01000407734SR-01000407734-1

Database identifiers

CAS: 5668-30-4
PubChem CID: 2859983
DTXSID: DTXSID70386343

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 110 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 27
Formal charge: 0
Complexity: 529

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