methyl 1,1-dioxo-4-[4-(propan-2-yl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
methyl 1,1-dioxo-4-[4-(propan-2-yl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
methyl 1,1-dioxo-4-[4-(propan-2-yl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Compound characteristics
| Compound ID: | G917-0015 |
| Compound Name: | methyl 1,1-dioxo-4-[4-(propan-2-yl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C19 H19 N O4 S |
| Smiles: | CC(C)c1ccc(cc1)N1C=C(C(=O)OC)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3084 |
| logD: | 3.3084 |
| logSw: | -3.7296 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.124 |
| InChI Key: | IKMITIQIFRWHFL-UHFFFAOYSA-N |