3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate
Chemical Structure Depiction of
3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate
3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate
Compound characteristics
| Compound ID: | D239-0138 |
| Compound Name: | 3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate |
| Molecular Weight: | 443.47 |
| Molecular Formula: | C22 H21 N O7 S |
| Smiles: | CC(C)C(=O)OC1=C(C(c2ccccc2)=O)N(CC(=O)OC)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2109 |
| logD: | 3.2109 |
| logSw: | -3.8461 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.957 |
| InChI Key: | PLQHCRJBCXNFJA-UHFFFAOYSA-N |