5H-Thiazolo(3,2-a)pyrimidin-3-ol, 2,3,6,7-tetrahydro-3-(4-methoxyphenyl)-2-(2-phenylethyl)-, monohydrobromide

HCID 3070366

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Basic information

CAS: 86346-99-8
Standard SMILES: Br.COc1ccc(C2(O)C(CCc3ccccc3)SC3=NCCCN32)cc1
InChIKey: CJTVPHZOYNPYJQ-UHFFFAOYSA-N
Molecular formula: C21H25BrN2O2S
Average molar mass: 449.4 g/mol
Monoisotopic mass: 448.08201

Names & identifiers

Preferred name: 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 2,3,6,7-tetrahydro-3-(4-methoxyphenyl)-2-(2-phenylethyl)-, monohydrobromide
IUPAC: 3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide

Names & synonyms

86346-99-85H-Thiazolo(3,2-a)pyrimidin-3-ol, 2,3,6,7-tetrahydro-3-(4-methoxyphenyl)-2-(2-phenylethyl)-, monohydrobromideRefChem:305848DTXSID8010067543-(4-Methoxyphenyl)-2-(2-phenylethyl)-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-ol--hydrogen bromide (1/1)

Database identifiers

CAS: 86346-99-8
PubChem CID: 3070366
DTXSID: DTXSID801006754

Properties

Computed structural properties

Topological polar surface area: 70.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 500

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