nifekalant
6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
| Molecular Formula | C19H27N5O5 |
|---|---|
| Molecular Weight | 405.4 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 122.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 405.20123 |
| Heavy Atoms | 29 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 130636-43-0 |
|---|---|
| SMILES | CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO |
| InChIKey | OEBPANQZQGQPHF-UHFFFAOYSA-N |
📖 Product Overview
nifekalant (CAS: 130636-43-0) is a chemical compound with molecular formula C19H27N5O5 and molecular weight 405.4 g/mol. Its IUPAC systematic name is 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione.
OEBPANQZQGQPHF-UHFFFAOYSA-N.
SMILES: CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO.
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