Spiro(piperidine-4,6'(7'H)-(5H)thiazolo(3,2-a)pyrimidin)-3'-ol, 2',3'-dihydro-3'-(3,4-dichlorophenyl)-1-(phenylmethyl)-, dihydrobromide

HCID 3040539

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Basic information

CAS: 52419-71-3
Standard SMILES: Br.Br.OC1(c2ccc(Cl)c(Cl)c2)CSC2=NCC3(CCN(Cc4ccccc4)CC3)CN21
InChIKey: DXBVBYFVUUZUKS-UHFFFAOYSA-N
Molecular formula: C23H27Br2Cl2N3OS
Average molar mass: 624.3 g/mol
Monoisotopic mass: 620.96186

Names & identifiers

Preferred name: Spiro(piperidine-4,6'(7'H)-(5H)thiazolo(3,2-a)pyrimidin)-3'-ol, 2',3'-dihydro-3'-(3,4-dichlorophenyl)-1-(phenylmethyl)-, dihydrobromide
IUPAC: 1'-benzyl-3-(3,4-dichlorophenyl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol;dihydrobromide

Names & synonyms

52419-71-3Spiro(piperidine-4,6'(7'H)-(5H)thiazolo(3,2-a)pyrimidin)-3'-ol, 2',3'-dihydro-3'-(3,4-dichlorophenyl)-1-(phenylmethyl)-, dihydrobromideRefChem:381218DTXSID109668401-Benzyl-3'-(3,4-dichlorophenyl)-2',3'-dihydro-5'H,7'H-spiro[piperidine-4,6'-[1,3]thiazolo[3,2-a]pyrimidin]-3'-ol--hydrogen bromide (1/2)

Database identifiers

CAS: 52419-71-3
PubChem CID: 3040539
DTXSID: DTXSID10966840

Properties

Computed structural properties

Topological polar surface area: 64.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 32
Formal charge: 0
Complexity: 650

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