1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-(4-methylphenyl)-, monohydrochloride
Basic information
- CAS
24854-55-5- Standard SMILES
Cc1ccc(N2C(=O)CSC23CCN(CC2COc4ccccc4O2)CC3)cc1.Cl- InChIKey
QRUPOGSJBJLBSM-UHFFFAOYSA-N- Molecular formula
- C23H27ClN2O3S
- Average molar mass
- 447 g/mol
- Monoisotopic mass
- 446.1430916
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-methylphenyl)-, monohydrochloride
- IUPAC
- 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
Names & synonyms
24854-55-58-(1,4-Benzodioxan-2-ylmethyl)-3-oxo-4-p-tolyl-1-thia-4,8-diazaspiro(4.5)decane hydrochloride1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-(4-methylphenyl)-, monohydrochlorideRefChem:235474DTXSID909477588-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one--hydrogen chloride (1/1)
Database identifiers
- CAS
24854-55-5- PubChem CID
- 212765
- DTXSID
DTXSID90947758
Properties
Computed structural properties
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 587
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Compound notes
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