2-[(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)carbamoyl]phenyl acetate
Chemical Structure Depiction of
2-[(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)carbamoyl]phenyl acetate
2-[(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)carbamoyl]phenyl acetate
Compound characteristics
| Compound ID: | 6405-0118 |
| Compound Name: | 2-[(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)carbamoyl]phenyl acetate |
| Molecular Weight: | 532.62 |
| Molecular Formula: | C29 H28 N2 O6 S |
| Smiles: | CCCCCN1C(=C(c2ccccc2S1(=O)=O)NC(c1ccccc1OC(C)=O)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0422 |
| logD: | -0.3777 |
| logSw: | -4.6621 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.517 |
| InChI Key: | HZTPFPGXQKKGRH-UHFFFAOYSA-N |