rel-(3aR,6aR)-2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl](4-ethoxyphenyl)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-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl](4-ethoxyphenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl](4-ethoxyphenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | K248-0265 |
| Compound Name: | rel-(3aR,6aR)-2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl](4-ethoxyphenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 505.01 |
| Molecular Formula: | C22 H21 Cl N4 O4 S2 |
| Smiles: | CCOc1ccc(cc1)N(CC1=CC(N2C=C(C=CC2=N1)[Cl])=O)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2942 |
| logD: | 2.2942 |
| logSw: | -3.0303 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.644 |
| InChI Key: | YNRODJYUGQJXAO-UHFFFAOYSA-N |