rel-(4aR,8aS)-6-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
Chemical Structure Depiction of
rel-(4aR,8aS)-6-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
rel-(4aR,8aS)-6-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
Compound characteristics
| Compound ID: | S808-0748 |
| Compound Name: | rel-(4aR,8aS)-6-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C19 H31 N5 O3 S |
| Smiles: | [H][C@@]12CCN(Cc3cnn(C)c3C)C[C@]1(CCS(N2C)(=O)=O)C(N1CCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.026 |
| logD: | -3.2696 |
| logSw: | -1.191 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.969 |
| InChI Key: | SHMAJMGTVCUDDR-MJGOQNOKSA-N |