3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butanoate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butanoate
3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butanoate
Compound characteristics
| Compound ID: | D316-0060 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butanoate |
| Molecular Weight: | 351.42 |
| Molecular Formula: | C17 H21 N O5 S |
| Smiles: | CCCC(=O)OC1=C(C(C)=O)N(CCC)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.87 |
| logD: | 2.87 |
| logSw: | -3.4816 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.121 |
| InChI Key: | UYPYAOZJCKKUCS-UHFFFAOYSA-N |