rel-(3aR,6aR)-2-{(3-chloro-4-methylphenyl)[(6-methyl-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-chloro-4-methylphenyl)[(6-methyl-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-chloro-4-methylphenyl)[(6-methyl-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: | C998-0235 |
| Compound Name: | rel-(3aR,6aR)-2-{(3-chloro-4-methylphenyl)[(6-methyl-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: | 489.01 |
| Molecular Formula: | C22 H21 Cl N4 O3 S2 |
| Smiles: | CC1=CC=CC2=NC(CN(C3=N[C@@H]4CS(C[C@@H]4S3)(=O)=O)c3ccc(C)c(c3)[Cl])=CC(N12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2667 |
| logD: | 3.2667 |
| logSw: | -3.3878 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.666 |
| InChI Key: | RNKMFUIKHACGEO-UHFFFAOYSA-N |