4-[4-(propan-2-yl)phenyl]-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
4-[4-(propan-2-yl)phenyl]-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
4-[4-(propan-2-yl)phenyl]-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | L810-0009 |
| Compound Name: | 4-[4-(propan-2-yl)phenyl]-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C22 H24 N2 O3 S |
| Smiles: | CC(C)c1ccc(cc1)N1C=C(C(N2CCCC2)=O)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4694 |
| logD: | 3.4694 |
| logSw: | -3.7658 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.965 |
| InChI Key: | NHQOFPUSBJNHEB-UHFFFAOYSA-N |