rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[2-(3-methylphenyl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[2-(3-methylphenyl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[2-(3-methylphenyl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0441 |
| Compound Name: | rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[2-(3-methylphenyl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C21 H32 N2 O4 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CCOC)(=O)=O)C(NCCc1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1916 |
| logD: | 2.1916 |
| logSw: | -2.6559 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.565 |
| InChI Key: | DWWNTWDVAQAHAR-FPOVZHCZSA-N |