rel-(4aR,8aS)-1-methyl-6-(3-phenylpropanoyl)-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)-1-methyl-6-(3-phenylpropanoyl)-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
rel-(4aR,8aS)-1-methyl-6-(3-phenylpropanoyl)-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
Compound characteristics
| Compound ID: | S808-0720 |
| Compound Name: | rel-(4aR,8aS)-1-methyl-6-(3-phenylpropanoyl)-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C22 H31 N3 O4 S |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCS(N2C)(=O)=O)C(N1CCCC1)=O)C(CCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6558 |
| logD: | 1.6558 |
| logSw: | -2.2418 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.871 |
| InChI Key: | JHJQTCGQDYSPBW-KNQAVFIVSA-N |