rel-(4aR,8aR)-1-(2-methoxyethyl)-2,2-dioxo-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(2-methoxyethyl)-2,2-dioxo-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-(2-methoxyethyl)-2,2-dioxo-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0707 |
| Compound Name: | rel-(4aR,8aR)-1-(2-methoxyethyl)-2,2-dioxo-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 449.61 |
| Molecular Formula: | C23 H35 N3 O4 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CCOC)(=O)=O)C(Nc1ccc(CN2CCCC2)cc1)=O |
| Stereo: | RELATIVE |
| logP: | 2.0632 |
| logD: | 0.0516 |
| logSw: | -2.7305 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.5 |
| InChI Key: | LGGFEALQWVEOMI-GMAHTHKFSA-N |