rel-(4aR,8aS)-1-methyl-6-[(3-methylthiophen-2-yl)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)-1-methyl-6-[(3-methylthiophen-2-yl)methyl]-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-methylthiophen-2-yl)methyl]-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
Compound characteristics
| Compound ID: | S808-0662 |
| Compound Name: | rel-(4aR,8aS)-1-methyl-6-[(3-methylthiophen-2-yl)methyl]-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione |
| Molecular Weight: | 411.58 |
| Molecular Formula: | C19 H29 N3 O3 S2 |
| Smiles: | [H][C@@]12CCN(Cc3c(C)ccs3)C[C@]1(CCS(N2C)(=O)=O)C(N1CCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8197 |
| logD: | 1.759 |
| logSw: | -2.4094 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.501 |
| InChI Key: | MXLHMNDEIMXXNY-MJGOQNOKSA-N |