N-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-4-nitrobenzamide
N-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 6405-0085 |
| Compound Name: | N-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-4-nitrobenzamide |
| Molecular Weight: | 539.57 |
| Molecular Formula: | C29 H21 N3 O6 S |
| Smiles: | C(c1ccccc1)N1C(=C(c2ccccc2S1(=O)=O)NC(c1ccc(cc1)[N+]([O-])=O)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.121 |
| logD: | 0.6605 |
| logSw: | -5.3445 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.811 |
| InChI Key: | PMPBCNPCMBZJMA-UHFFFAOYSA-N |