methyl 3-{[(2-chloro-6-fluorophenyl)methyl][rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[(2-chloro-6-fluorophenyl)methyl][rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}benzoate
methyl 3-{[(2-chloro-6-fluorophenyl)methyl][rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}benzoate
Compound characteristics
| Compound ID: | C998-1165 |
| Compound Name: | methyl 3-{[(2-chloro-6-fluorophenyl)methyl][rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}benzoate |
| Molecular Weight: | 468.95 |
| Molecular Formula: | C20 H18 Cl F N2 O4 S2 |
| Smiles: | COC(c1cccc(c1)N(Cc1c(cccc1[Cl])F)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9964 |
| logD: | 3.9963 |
| logSw: | -4.4216 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.189 |
| InChI Key: | ZXHAHPAZYOVIJY-UHFFFAOYSA-N |