3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[(4-fluorophenyl)methyl]benzamide
Chemical Structure Depiction of
3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[(4-fluorophenyl)methyl]benzamide
3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[(4-fluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | C685-0039 |
| Compound Name: | 3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[(4-fluorophenyl)methyl]benzamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C19 H18 F N3 O3 S2 |
| Smiles: | C(c1ccc(cc1)F)NC(c1cccc(c1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.4323 |
| logD: | 2.4322 |
| logSw: | -2.9702 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.755 |
| InChI Key: | HRNYOAXVRLRFKT-UHFFFAOYSA-N |