1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((7-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-,(Z)-2-butenedioate (1:1)
Basic information
- CAS
36844-72-1- Standard SMILES
O=C(O)/C=C/C(=O)O.O=C1CSC2(CCN(CC3COc4ccc(Cl)cc4O3)CC2)N1- InChIKey
VPLMUOUQBUIJKD-WLHGVMLRSA-N- Molecular formula
- C20H23ClN2O7S
- Average molar mass
- 470.9 g/mol
- Monoisotopic mass
- 470.0914499
Names & identifiers
- Preferred name
- 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((7-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-,(Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;8-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
Names & synonyms
36844-72-11-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((7-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-,(Z)-2-butenedioate (1:1)RefChem:10571648-((7-Chloro-1,4-benzodioxan-2-yl)methyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane maleate
Database identifiers
- CAS
36844-72-1- PubChem CID
- 6445489
Properties
Computed structural properties
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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