1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-(2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl)-, (Z)-2-butenedioate (1:1)
Basic information
- CAS
36844-85-6- Standard SMILES
O=C(O)/C=C/C(=O)O.O=C1CSC2(CCN(CCC3COc4ccccc4O3)CC2)N1- InChIKey
YBGQVMJAFCSUCO-WLHGVMLRSA-N- Molecular formula
- C21H26N2O7S
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.14607235
Names & identifiers
- Preferred name
- 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-(2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl)-, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
Names & synonyms
1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-(2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl)-, (Z)-2-butenedioate (1:1)36844-85-6RefChem:10571658-(1,4-Benzodioxan-2-ylethyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane maleate
Database identifiers
- CAS
36844-85-6- PubChem CID
- 6445490
Properties
Computed structural properties
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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