3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-chlorobenzoate
Chemical Structure Depiction of
3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-chlorobenzoate
3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-chlorobenzoate
Compound characteristics
| Compound ID: | D316-0074 |
| Compound Name: | 3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-chlorobenzoate |
| Molecular Weight: | 433.91 |
| Molecular Formula: | C21 H20 Cl N O5 S |
| Smiles: | CCCCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccccc1[Cl])=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4516 |
| logD: | 4.4516 |
| logSw: | -4.6331 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.444 |
| InChI Key: | SQRQMKHSKAKCRJ-UHFFFAOYSA-N |