rel-(4aR,8aR)-N-(1-benzylpiperidin-4-yl)-1-ethyl-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-(1-benzylpiperidin-4-yl)-1-ethyl-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-N-(1-benzylpiperidin-4-yl)-1-ethyl-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0014 |
| Compound Name: | rel-(4aR,8aR)-N-(1-benzylpiperidin-4-yl)-1-ethyl-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 433.61 |
| Molecular Formula: | C23 H35 N3 O3 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CC)(=O)=O)C(NC1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3507 |
| logD: | 0.793 |
| logSw: | -2.6136 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.393 |
| InChI Key: | HKLBJALWGFHADM-GMAHTHKFSA-N |