Agn-PC-0LP7TK
methyl 2-(3-methyl-4-oxo-2-thionia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)benzoate
Also Known As: AGN-PC-0LP7TK|J1.522.167D|1-[2-(Methoxycarbonyl)phenyl]-2-methyl-3-oxo-1-thionia-2-aza-2,3-dihydro-1H-phenalene|2,3-Dihydro-2-methyl-3-oxo-1-(2-methoxycarbonylphenyl)-1-thia-2-aza-1H-phenalene-1-ium|1-[2-(Methoxycarbonyl)phenyl]-2-methyl-3-oxo-2,3-dihydronaphtho[1,8-de][1,2]thiazin-1-ium|2-[2-(methoxycarbonyl)phenyl]-3-methyl-4-oxo-2lambda4-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-ylium
| Molecular Formula | C20H16NO3S+ |
|---|---|
| Molecular Weight | 350.08508 g/mol |
| LogP | 3.6633 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.08508 |
| Monoisotopic Mass | 350.08508 |
| Heavy Atoms | 25 |
| Complexity | 1009.49884 |
Chemical Identifiers
| CAS Number | 7237-73-2 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC3=C2C(=CC=C3)[S+]1C4=CC=CC=C4C(=O)OC |
Product Overview
Agn-PC-0LP7TK (CAS 7237-73-2), with molecular formula C20H16NO3S+ and molecular weight 350.08508 g/mol. IUPAC: methyl 2-(3-methyl-4-oxo-2-thionia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)benzoate.