4-benzyl-1,3-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
4-benzyl-1,3-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide
4-benzyl-1,3-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C531-0513 |
| Compound Name: | 4-benzyl-1,3-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C24 H22 N2 O3 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccccc1)C(CS2=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.857 |
| logD: | 2.857 |
| logSw: | -3.6451 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.03 |
| InChI Key: | PYIIFAXPKBQTNL-UHFFFAOYSA-N |