AC1MY02P
4-[[2-(4-chlorophenyl)imino-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: A3222/0136734|(Z)-4-(2-((4-chlorophenyl)imino)-3-(4-fluorophenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid|4-({[2-[(4-CHLOROPHENYL)IMINO]-3-(4-FLUOROPHENETHYL)-4-OXO-1,3-THIAZINAN-6-YL]CARBONYL}AMINO)BENZOIC ACID|4-({2-[(4-chlorophenyl)azamethylene]-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thi azaperhydroin-6-yl}carbonylamino)benzoic acid|4-[({(2Z)-2-[(4-chlorophenyl)imino]-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid|4-[[2-(4-chlorophenyl)imino-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C26H21ClFN3O4S |
|---|---|
| Molecular Weight | 525.0925 g/mol |
| LogP | 5.3803 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.0925 |
| Monoisotopic Mass | 525.0925 |
| Heavy Atoms | 36 |
| Complexity | 1298.2744 |
Chemical Identifiers
| CAS Number | 522650-23-3 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=C(C=C2)Cl)N(C1=O)CCC3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
AC1MY02P (CAS 522650-23-3), with molecular formula C26H21ClFN3O4S and molecular weight 525.0925 g/mol. IUPAC: 4-[[2-(4-chlorophenyl)imino-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
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