BRN 0582289
6-(4-methylpiperazin-1-yl)-8-nitrobenzo[b][1,4]benzoxazepine
| Molecular Formula | C18H18N4O3 |
|---|---|
| Molecular Weight | 338.4 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 73.9 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.13788 |
| Heavy Atoms | 25 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 21636-37-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)[N+](=O)[O-] |
| InChIKey | MTQQTMPILLUUSQ-UHFFFAOYSA-N |
📖 Product Overview
BRN 0582289 (CAS: 21636-37-3) is a chemical compound with molecular formula C18H18N4O3 and molecular weight 338.4 g/mol. Its IUPAC systematic name is 6-(4-methylpiperazin-1-yl)-8-nitrobenzo[b][1,4]benzoxazepine.
MTQQTMPILLUUSQ-UHFFFAOYSA-N.
SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)[N+](=O)[O-].
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