N-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-4-fluorobenzamide
N-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | 6405-0090 |
| Compound Name: | N-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-4-fluorobenzamide |
| Molecular Weight: | 512.56 |
| Molecular Formula: | C29 H21 F N2 O4 S |
| Smiles: | C(c1ccccc1)N1C(=C(c2ccccc2S1(=O)=O)NC(c1ccc(cc1)F)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2244 |
| logD: | -0.0042 |
| logSw: | -5.4295 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.429 |
| InChI Key: | VAVMNSFMGNGPOA-UHFFFAOYSA-N |