rel-(3aR,6aR)-2-{(3-methylphenyl)[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Chemical Structure Depiction of
rel-(3aR,6aR)-2-{(3-methylphenyl)[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-{(3-methylphenyl)[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | C998-0286 |
| Compound Name: | rel-(3aR,6aR)-2-{(3-methylphenyl)[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C21 H20 N4 O3 S2 |
| Smiles: | Cc1cccc(c1)N(CC1=CC(N2C=CC=CC2=N1)=O)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2035 |
| logD: | 2.2035 |
| logSw: | -2.6557 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.002 |
| InChI Key: | WTXXZVSIOKFSHX-UHFFFAOYSA-N |