CTK4F4537
4-benzyl-8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one;but-2-enedioic acid
Also Known As: 8-(1,4-Benzodioxan-2-ylmethyl)-4-benzyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane maleate|1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-(phenylmethyl)-, (Z)-2-butenedioate (1:1)|8-(1,4-BENZODIOXAN-2-YLMETHYL)-4-BENZYL-3-OXO-1-THIA-4,8-DIAZASPIRO[4.5]DECANE MALEATE
| Molecular Formula | C27H30N2O7S |
|---|---|
| Molecular Weight | 526.17737 g/mol |
| LogP | 3.1059 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.17737 |
| Monoisotopic Mass | 526.17737 |
| Heavy Atoms | 37 |
| Complexity | 693.0 |
Chemical Identifiers
| CAS Number | 24868-64-2 |
|---|---|
| SMILES | C1CN(CCC12N(C(=O)CS2)CC3=CC=CC=C3)CC4COC5=CC=CC=C5O4.C(=CC(=O)O)C(=O)O |
| InChIKey | UCQUYPSUMWOMMZ-UHFFFAOYSA-N |
Product Overview
CTK4F4537 (CAS 24868-64-2), with molecular formula C27H30N2O7S and molecular weight 526.17737 g/mol. IUPAC: 4-benzyl-8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one;but-2-enedioic acid.
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