rel-(4aR,8aR)-1-ethyl-2,2-dioxo-N-[(pyridin-3-yl)methyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-ethyl-2,2-dioxo-N-[(pyridin-3-yl)methyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-ethyl-2,2-dioxo-N-[(pyridin-3-yl)methyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
Compound ID: | S762-0025 |
Compound Name: | rel-(4aR,8aR)-1-ethyl-2,2-dioxo-N-[(pyridin-3-yl)methyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
Molecular Weight: | 351.47 |
Molecular Formula: | C17 H25 N3 O3 S |
Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CC)(=O)=O)C(NCc1cccnc1)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 0.86 |
logD: | 0.8575 |
logSw: | -1.608 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.645 |
InChI Key: | GTNPRVGXRXIUNI-RDJZCZTQSA-N |