1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-(4-methoxyphenyl)-, monohydrochloride

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Basic information

CAS: 24798-28-5
Standard SMILES: COc1ccc(N2C(=O)CSC23CCN(CC2COc4ccccc4O2)CC3)cc1.Cl
InChIKey: OLIUYQMGIYVENQ-UHFFFAOYSA-N
Molecular formula: C23H27ClN2O4S
Average molar mass: 463 g/mol
Monoisotopic mass: 462.1380062

Names & identifiers

Preferred name: 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-(4-methoxyphenyl)-, monohydrochloride
IUPAC: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride

Names & synonyms

24798-28-58-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-(4-methoxyphenyl)-, monohydrochlorideRefChem:235473DTXSID809477078-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-4-(4-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one--hydrogen chloride (1/1)

Database identifiers

CAS: 24798-28-5
PubChem CID: 212734
DTXSID: DTXSID80947707

Properties

Computed structural properties

Topological polar surface area: 76.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 31
Formal charge: 0
Complexity: 604

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