3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methoxyphenoxy)acetate
Chemical Structure Depiction of
3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methoxyphenoxy)acetate
3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methoxyphenoxy)acetate
Compound characteristics
| Compound ID: | 6405-0036 |
| Compound Name: | 3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methoxyphenoxy)acetate |
| Molecular Weight: | 505.55 |
| Molecular Formula: | C27 H23 N O7 S |
| Smiles: | COc1ccc(cc1)OCC(=O)OC1=C(C(c2ccccc2)=O)N(CC=C)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3053 |
| logD: | 4.3053 |
| logSw: | -4.4883 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.533 |
| InChI Key: | KUTMNUTWYWDFHK-UHFFFAOYSA-N |