3-acetyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl benzoate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl benzoate
3-acetyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl benzoate
Compound characteristics
| Compound ID: | D316-0118 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl benzoate |
| Molecular Weight: | 383.42 |
| Molecular Formula: | C20 H17 N O5 S |
| Smiles: | CC(C1=C(c2ccccc2S(N1CC=C)(=O)=O)OC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9945 |
| logD: | 2.9945 |
| logSw: | -3.5231 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.444 |
| InChI Key: | YBPIPMAMXIMDPV-UHFFFAOYSA-N |