Rocastine
2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5-thione
| Molecular Formula | C13H19N3OS |
|---|---|
| Molecular Weight | 265.38 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 60.7 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.12488 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 91833-49-7 |
|---|---|
| SMILES | CN1CC(OC2=C(C1=S)C=CC=N2)CCN(C)C |
| InChIKey | DPPDPATYPQFYDL-UHFFFAOYSA-N |
📖 Product Overview
Rocastine (CAS: 91833-49-7) is a chemical compound with molecular formula C13H19N3OS and molecular weight 265.38 g/mol. Its IUPAC systematic name is 2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5-thione.
DPPDPATYPQFYDL-UHFFFAOYSA-N.
SMILES: CN1CC(OC2=C(C1=S)C=CC=N2)CCN(C)C.
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