4-(4-bromo-3-methylphenyl)-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
4-(4-bromo-3-methylphenyl)-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
4-(4-bromo-3-methylphenyl)-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | L810-0054 |
| Compound Name: | 4-(4-bromo-3-methylphenyl)-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 447.35 |
| Molecular Formula: | C20 H19 Br N2 O3 S |
| Smiles: | Cc1cc(ccc1[Br])N1C=C(C(N2CCCC2)=O)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.466 |
| logD: | 3.466 |
| logSw: | -3.868 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.965 |
| InChI Key: | RWAYFFQXTFACJO-UHFFFAOYSA-N |