3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | D316-0139 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate |
| Molecular Weight: | 399.46 |
| Molecular Formula: | C21 H21 N O5 S |
| Smiles: | CC(C)N1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(C)cc1)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9911 |
| logD: | 3.9911 |
| logSw: | -4.2812 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.581 |
| InChI Key: | LXHOTWSBTMKVPO-UHFFFAOYSA-N |