4-benzyl-N-(2-methoxy-5-nitrophenyl)-1,3-dioxo-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
4-benzyl-N-(2-methoxy-5-nitrophenyl)-1,3-dioxo-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide
4-benzyl-N-(2-methoxy-5-nitrophenyl)-1,3-dioxo-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C531-0528 |
| Compound Name: | 4-benzyl-N-(2-methoxy-5-nitrophenyl)-1,3-dioxo-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 465.48 |
| Molecular Formula: | C23 H19 N3 O6 S |
| Smiles: | COc1ccc(cc1NC(c1ccc2c(c1)N(Cc1ccccc1)C(CS2=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0473 |
| logD: | 2.9113 |
| logSw: | -3.6748 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.181 |
| InChI Key: | DDPRXMMWXGBNTI-UHFFFAOYSA-N |