AC1MJMXZ
4-[[2-(4-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: BAS 02239129|NCGC00098608-01|SR-01000076753-1|SR-01000357529-1|(Z)-4-(2-((4-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid|4-[[2-(4-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid|4-({2-[(4-chlorophenyl)azamethylene]-3-methyl-4-oxo-1,3-thiazaperhydroin-6-yl} carbonylamino)benzoic acid|4-[({(2Z)-2-[(4-chlorophenyl)imino]-3-methyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid|4-[(2Z)-2-[(4-CHLOROPHENYL)IMINO]-3-METHYL-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID
| Molecular Formula | C19H16ClN3O4S |
|---|---|
| Molecular Weight | 417.055 g/mol |
| LogP | 3.6283 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.055 |
| Monoisotopic Mass | 417.055 |
| Heavy Atoms | 28 |
| Complexity | 944.656 |
Chemical Identifiers
| CAS Number | 333327-75-6 |
|---|---|
| SMILES | CN1C(=O)CC(SC1=NC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
AC1MJMXZ (CAS 333327-75-6), with molecular formula C19H16ClN3O4S and molecular weight 417.055 g/mol. IUPAC: 4-[[2-(4-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.