(4-Methoxy-2,3,6-trimethylphenyl)(5-nitro-1,3-thiazol-2-yl)methanone

HCID 21481569

Notes Reactions

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Basic information

CAS: 52928-08-2
Standard SMILES: COc1cc(C)c(C(=O)c2ncc([N+](=O)[O-])s2)c(C)c1C
InChIKey: VGFKTIGBDMUHCV-UHFFFAOYSA-N
Molecular formula: C14H14N2O4S
Average molar mass: 306.34 g/mol
Monoisotopic mass: 306.06742793

Names & identifiers

Preferred name: (4-Methoxy-2,3,6-trimethylphenyl)(5-nitro-1,3-thiazol-2-yl)methanone
IUPAC: (4-methoxy-2,3,6-trimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)methanone

Names & synonyms

52928-08-2SCHEMBL11754540DTXSID40614468VGFKTIGBDMUHCV-UHFFFAOYSA-N(4-Methoxy-2,3,6-trimethylphenyl)(5-nitro-1,3-thiazol-2-yl)methanone2-(4-Methoxy-2,3,6-trimethylbenzoyl)-5-nitrothiazole

Database identifiers

CAS: 52928-08-2
PubChem CID: 21481569
DTXSID: DTXSID40614468

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 113 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 414

Related reactions

2 records

New reaction record

HRID 435812As productuspto-grants-1977_02

HRID 2134211As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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