rel-(4aR,8aR)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0685 |
| Compound Name: | rel-(4aR,8aR)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)-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(NCc1cc(C)ccc1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9827 |
| logD: | 2.9827 |
| logSw: | -3.2927 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.724 |
| InChI Key: | RRZGQSPCVHUMPQ-FPOVZHCZSA-N |