4-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}-2-methoxyphenyl pyridine-3-carboxylate
Chemical Structure Depiction of
4-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}-2-methoxyphenyl pyridine-3-carboxylate
4-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}-2-methoxyphenyl pyridine-3-carboxylate
Compound characteristics
| Compound ID: | 6681-0044 |
| Compound Name: | 4-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}-2-methoxyphenyl pyridine-3-carboxylate |
| Molecular Weight: | 513.57 |
| Molecular Formula: | C28 H23 N3 O5 S |
| Smiles: | Cc1ccc(cc1)N(Cc1ccc(c(c1)OC)OC(c1cccnc1)=O)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2816 |
| logD: | 4.2816 |
| logSw: | -4.2941 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.446 |
| InChI Key: | LLNGGVGYEYSHEL-UHFFFAOYSA-N |