AC1MYWB4
4-[[3-[2-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: A3211/0136190|(Z)-4-(3-(4-fluorophenethyl)-2-((2-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid|4-[({(2Z)-3-[2-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid|4-[(2Z)-3-[2-(4-FLUOROPHENYL)ETHYL]-2-[(2-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID|4-[[3-[2-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C26H21F2N3O4S |
|---|---|
| Molecular Weight | 509.12207 g/mol |
| LogP | 4.866 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.12207 |
| Monoisotopic Mass | 509.12207 |
| Heavy Atoms | 36 |
| Complexity | 1313.5244 |
Chemical Identifiers
| CAS Number | 522649-87-2 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=CC=C2F)N(C1=O)CCC3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
AC1MYWB4 (CAS 522649-87-2), with molecular formula C26H21F2N3O4S and molecular weight 509.12207 g/mol. IUPAC: 4-[[3-[2-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.