3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl pentanoate
Chemical Structure Depiction of
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl pentanoate
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl pentanoate
Compound characteristics
| Compound ID: | D239-0106 |
| Compound Name: | 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl pentanoate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C22 H23 N O5 S |
| Smiles: | CCCCC(=O)OC1=C(C(c2ccccc2)=O)N(CC)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3095 |
| logD: | 4.3095 |
| logSw: | -4.4022 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.507 |
| InChI Key: | FDHGHQGHLJHPNW-UHFFFAOYSA-N |