AC1MID4I
2-benzyl-5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-methoxypyridazin-3-one
Also Known As: Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-(phenylmethyl)-4-pyridazinyl) O-ethyl O-(1-methylethyl) ester|2-benzyl-5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-methoxypyridazin-3-one|O-(1-Benzyl-5-methoxy-6-oxo-1,6-dihydropyridazin-4-yl) O-ethyl O-propan-2-yl phosphorothioate|PHOSPHOROTHIOIC ACID O-(1,6-DIHYDRO-5-METHOXY-6-OXO-1-BENZYL-4-PYRIDAZINYL) O-ETHYL O-(ISOPROPYL) ESTER|O-(1-Benzyl-5-methoxy-6-oxo-1,6-dihydropyridazin-4-yl) O-ethyl O-(propan-2-yl) phosphorothioate
| Molecular Formula | C17H23N2O5PS |
|---|---|
| Molecular Weight | 398.10654 g/mol |
| LogP | 3.365 |
| Topological Polar Surface Area | 71.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.10654 |
| Monoisotopic Mass | 398.10654 |
| Heavy Atoms | 26 |
| Complexity | 825.6481 |
Chemical Identifiers
| CAS Number | 59631-25-3 |
|---|---|
| SMILES | CCOP(=S)(OC1=C(C(=O)N(N=C1)CC2=CC=CC=C2)OC)OC(C)C |
Product Overview
AC1MID4I (CAS 59631-25-3), with molecular formula C17H23N2O5PS and molecular weight 398.10654 g/mol. IUPAC: 2-benzyl-5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-methoxypyridazin-3-one.