4-(beta-(10-Phenothiazinyl)-ethyl)-1,4-diazabicyclo(4.4.0)decane

HCID 62874

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Basic information

CAS: 34654-96-1
Standard SMILES: c1ccc2c(c1)Sc1ccccc1N2CCN1CCN2CCCCC2C1
InChIKey: BEWQJCSOWMSVKN-UHFFFAOYSA-N
Molecular formula: C22H27N3S
Average molar mass: 365.5 g/mol
Monoisotopic mass: 365.19256905

Overview

structure

Names & identifiers

Preferred name: 4-(beta-(10-Phenothiazinyl)-ethyl)-1,4-diazabicyclo(4.4.0)decane
IUPAC: 10-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenothiazine

Names & synonyms

34654-96-14-(beta-(10-Phenothiazinyl)-ethyl)-1,4-diazabicyclo(4.4.0)decaneRefChem:9735210-(2-(Hexahydro-1H-pyrido[1,2-a]pyrazin-2(6H)-yl)ethyl)-10H-phenothiazineDTXSID3095614710-[2-(Octahydro-2H-pyrido[1,2-a]pyrazin-2-yl)ethyl]-10H-phenothiazine10H-Phenothiazine, 10-(2-(octahydro-2H-pyrido(1,2-a)pyrazin-2-yl)ethyl)-

Database identifiers

CAS: 34654-96-1
PubChem CID: 62874
DTXSID: DTXSID30956147

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 35 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 26
Formal charge: 0
Complexity: 450

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