3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butanoate
Chemical Structure Depiction of
3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butanoate
3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butanoate
Compound characteristics
| Compound ID: | D239-0147 |
| Compound Name: | 3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butanoate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C23 H23 N O7 S |
| Smiles: | CCCC(=O)OC1=C(C(c2ccccc2)=O)N(CC(=O)OCC)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7432 |
| logD: | 3.7432 |
| logSw: | -4.0346 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.941 |
| InChI Key: | RMUUUXYMKMJIHP-UHFFFAOYSA-N |