3-acetyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butanoate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butanoate
3-acetyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butanoate
Compound characteristics
| Compound ID: | D316-0122 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butanoate |
| Molecular Weight: | 349.4 |
| Molecular Formula: | C17 H19 N O5 S |
| Smiles: | CCCC(=O)OC1=C(C(C)=O)N(CC=C)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6244 |
| logD: | 2.6244 |
| logSw: | -3.2139 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.121 |
| InChI Key: | LZSKLZNVVUELFX-UHFFFAOYSA-N |