AC1MXPTA
3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: A3211/0136185|(Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-((2-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamide|(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide|(2Z)-3-[(2H-13-BENZODIOXOL-5-YL)METHYL]-N-(4-ETHOXYPHENYL)-2-[(2-FLUOROPHENYL)IMINO]-4-OXO-13-THIAZINANE-6-CARBOXAMIDE|3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
| Molecular Formula | C27H24FN3O5S |
|---|---|
| Molecular Weight | 521.1421 g/mol |
| LogP | 5.1136 |
| Topological Polar Surface Area | 89.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.1421 |
| Monoisotopic Mass | 521.1421 |
| Heavy Atoms | 37 |
| Complexity | 1348.1232 |
Chemical Identifiers
| CAS Number | 522649-83-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3F)S2)CC4=CC5=C(C=C4)OCO5 |
Product Overview
AC1MXPTA (CAS 522649-83-8), with molecular formula C27H24FN3O5S and molecular weight 521.1421 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide.
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