3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl pyridine-2-carboxylate
Chemical Structure Depiction of
3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl pyridine-2-carboxylate
3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl pyridine-2-carboxylate
Compound characteristics
| Compound ID: | D239-0092 |
| Compound Name: | 3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl pyridine-2-carboxylate |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C26 H24 N2 O5 S |
| Smiles: | CCCCCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccccn1)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.896 |
| logD: | 4.896 |
| logSw: | -4.7898 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.132 |
| InChI Key: | UAFZFNSKROROPC-UHFFFAOYSA-N |