rel-(4aR,8aR)-1-ethyl-N-[(2-methylphenyl)methyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-ethyl-N-[(2-methylphenyl)methyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-ethyl-N-[(2-methylphenyl)methyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0057 |
| Compound Name: | rel-(4aR,8aR)-1-ethyl-N-[(2-methylphenyl)methyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 364.51 |
| Molecular Formula: | C19 H28 N2 O3 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CC)(=O)=O)C(NCc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9756 |
| logD: | 2.9756 |
| logSw: | -3.3131 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.127 |
| InChI Key: | PTCZHMQHGIPWEZ-HKUYNNGSSA-N |