rel-(4aR,8aS)-N,N,1-trimethyl-2,2-dioxo-6-[(3-phenyl-1H-pyrazol-4-yl)methyl]octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aS)-N,N,1-trimethyl-2,2-dioxo-6-[(3-phenyl-1H-pyrazol-4-yl)methyl]octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
rel-(4aR,8aS)-N,N,1-trimethyl-2,2-dioxo-6-[(3-phenyl-1H-pyrazol-4-yl)methyl]octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S808-0376 |
| Compound Name: | rel-(4aR,8aS)-N,N,1-trimethyl-2,2-dioxo-6-[(3-phenyl-1H-pyrazol-4-yl)methyl]octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C21 H29 N5 O3 S |
| Smiles: | [H][C@@]12CCN(Cc3c[nH]nc3c3ccccc3)C[C@]1(CCS(N2C)(=O)=O)C(N(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4421 |
| logD: | -0.5275 |
| logSw: | -2.301 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.659 |
| InChI Key: | WEJZLYULGMJMKZ-NQIIRXRSSA-N |