methyl 4-(3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
methyl 4-(3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
methyl 4-(3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Compound characteristics
| Compound ID: | G917-0003 |
| Compound Name: | methyl 4-(3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate |
| Molecular Weight: | 329.37 |
| Molecular Formula: | C17 H15 N O4 S |
| Smiles: | Cc1cccc(c1)N1C=C(C(=O)OC)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4838 |
| logD: | 2.4838 |
| logSw: | -2.7156 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.124 |
| InChI Key: | FPADJKBNLJLVBJ-UHFFFAOYSA-N |