3-acetyl-2-(4-methylbenzoyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate
Chemical Structure Depiction of
3-acetyl-2-(4-methylbenzoyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate
3-acetyl-2-(4-methylbenzoyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | D316-0491 |
| Compound Name: | 3-acetyl-2-(4-methylbenzoyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C26 H21 N O6 S |
| Smiles: | CC(C1=C(c2ccccc2S(N1C(c1ccc(C)cc1)=O)(=O)=O)OC(c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3755 |
| logD: | 4.3755 |
| logSw: | -4.4843 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.174 |
| InChI Key: | QVXCHZVLCHHTLX-UHFFFAOYSA-N |