rel-(4aR,8aS)-N-(3,4-dimethylphenyl)-1-methyl-2,2-dioxo-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-6(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aS)-N-(3,4-dimethylphenyl)-1-methyl-2,2-dioxo-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-6(2H)-carboxamide
rel-(4aR,8aS)-N-(3,4-dimethylphenyl)-1-methyl-2,2-dioxo-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-6(2H)-carboxamide
Compound characteristics
| Compound ID: | S808-0732 |
| Compound Name: | rel-(4aR,8aS)-N-(3,4-dimethylphenyl)-1-methyl-2,2-dioxo-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-6(2H)-carboxamide |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C22 H32 N4 O4 S |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCS(N2C)(=O)=O)C(N1CCCC1)=O)C(Nc1ccc(C)c(C)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3488 |
| logD: | 2.3488 |
| logSw: | -2.9417 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.219 |
| InChI Key: | VCIKVAONEYJKQH-KNQAVFIVSA-N |