rel-(3aR,6aR)-2-{[(2-chloro-4-fluorophenyl)methyl](2-fluorophenyl)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-{[(2-chloro-4-fluorophenyl)methyl](2-fluorophenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-{[(2-chloro-4-fluorophenyl)methyl](2-fluorophenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | C998-1027 |
| Compound Name: | rel-(3aR,6aR)-2-{[(2-chloro-4-fluorophenyl)methyl](2-fluorophenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 428.91 |
| Molecular Formula: | C18 H15 Cl F2 N2 O2 S2 |
| Smiles: | C(c1ccc(cc1[Cl])F)N(C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)c1ccccc1F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1628 |
| logD: | 4.1628 |
| logSw: | -4.3906 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.714 |
| InChI Key: | MNAGRIWQWCHDEM-UHFFFAOYSA-N |