Compound C22H28N2O3S
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-(hydroxymethyl)thioxanthen-9-one
| Molecular Formula | C22H28N2O3S |
|---|---|
| Molecular Weight | 400.5 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 98.1 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.18207 |
| Heavy Atoms | 28 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 57292-31-6 |
|---|---|
| SMILES | CCN(CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O)CC(C)(C)O |
| InChIKey | QHXAKFDWYXSMJM-UHFFFAOYSA-N |
📖 Product Overview
Compound C22H28N2O3S (CAS: 57292-31-6) is a chemical compound with molecular formula C22H28N2O3S and molecular weight 400.5 g/mol. Its IUPAC systematic name is 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-(hydroxymethyl)thioxanthen-9-one.
QHXAKFDWYXSMJM-UHFFFAOYSA-N.
SMILES: CCN(CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O)CC(C)(C)O.
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