CTK4H7248
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
Also Known As: 8-((7-Chloro-1,4-benzodioxan-2-yl)methyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane maleate|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)|8-((7-CHLORO-1,4-BENZODIOXAN-2-YL)METHYL)-3-OXO-1-THIA-4,8-DIAZASPIRO[4.5]DECANE MALEATE
| Molecular Formula | C20H23ClN2O7S |
|---|---|
| Molecular Weight | 470.09146 g/mol |
| LogP | 1.8467 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.09146 |
| Monoisotopic Mass | 470.09146 |
| Heavy Atoms | 31 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 36844-72-1 |
|---|---|
| SMILES | C1CN(CCC12NC(=O)CS2)CC3COC4=C(O3)C=C(C=C4)Cl.C(=CC(=O)O)C(=O)O |
| InChIKey | VPLMUOUQBUIJKD-UHFFFAOYSA-N |
Product Overview
CTK4H7248 (CAS 36844-72-1), with molecular formula C20H23ClN2O7S and molecular weight 470.09146 g/mol. IUPAC: 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.
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