3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate
3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate
Compound characteristics
| Compound ID: | D316-0062 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate |
| Molecular Weight: | 351.42 |
| Molecular Formula: | C17 H21 N O5 S |
| Smiles: | CCCN1C(=C(c2ccccc2S1(=O)=O)OC(C(C)C)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8726 |
| logD: | 2.8726 |
| logSw: | -3.5101 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.716 |
| InChI Key: | JHIICWHDVMOVKI-UHFFFAOYSA-N |