rel-(3aR,6aR)-2-{[(2-chloro-6-fluorophenyl)methyl][4-(propan-2-yl)phenyl]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-6-fluorophenyl)methyl][4-(propan-2-yl)phenyl]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-6-fluorophenyl)methyl][4-(propan-2-yl)phenyl]amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | C998-0521 |
| Compound Name: | rel-(3aR,6aR)-2-{[(2-chloro-6-fluorophenyl)methyl][4-(propan-2-yl)phenyl]amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 453 |
| Molecular Formula: | C21 H22 Cl F N2 O2 S2 |
| Smiles: | CC(C)c1ccc(cc1)N(Cc1c(cccc1[Cl])F)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 5.2749 |
| logD: | 5.2749 |
| logSw: | -6.0617 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.015 |
| InChI Key: | LYSOKCNJTWMXJA-UHFFFAOYSA-N |