3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2,2-dimethylpropanoate
Chemical Structure Depiction of
3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2,2-dimethylpropanoate
3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2,2-dimethylpropanoate
Compound characteristics
| Compound ID: | D239-0135 |
| Compound Name: | 3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2,2-dimethylpropanoate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C23 H23 N O7 S |
| Smiles: | CC(C)(C)C(=O)OC1=C(C(c2ccccc2)=O)N(CC(=O)OC)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6843 |
| logD: | 3.6843 |
| logSw: | -4.1213 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.957 |
| InChI Key: | NCIOWDCRNDZDBG-UHFFFAOYSA-N |