rel-(4aR,8aS)-N~4a~,N~4a~,1-trimethyl-2,2-dioxo-N~6~-(2-phenylethyl)hexahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a,6(2H,5H)-dicarboxamide
Chemical Structure Depiction of
rel-(4aR,8aS)-N~4a~,N~4a~,1-trimethyl-2,2-dioxo-N~6~-(2-phenylethyl)hexahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a,6(2H,5H)-dicarboxamide
rel-(4aR,8aS)-N~4a~,N~4a~,1-trimethyl-2,2-dioxo-N~6~-(2-phenylethyl)hexahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a,6(2H,5H)-dicarboxamide
Compound characteristics
| Compound ID: | S808-0388 |
| Compound Name: | rel-(4aR,8aS)-N~4a~,N~4a~,1-trimethyl-2,2-dioxo-N~6~-(2-phenylethyl)hexahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a,6(2H,5H)-dicarboxamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C20 H30 N4 O4 S |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCS(N2C)(=O)=O)C(N(C)C)=O)C(NCCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.289 |
| logD: | 0.289 |
| logSw: | -2.2756 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.369 |
| InChI Key: | YTTKOTDBIGJRLY-XLIONFOSSA-N |