4-bromo-N-[rel-(2E,3aR,6aR)-5,5-dioxo-3-phenylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]benzamide
Chemical Structure Depiction of
4-bromo-N-[rel-(2E,3aR,6aR)-5,5-dioxo-3-phenylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]benzamide
4-bromo-N-[rel-(2E,3aR,6aR)-5,5-dioxo-3-phenylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]benzamide
Compound characteristics
| Compound ID: | 6399-0034 |
| Compound Name: | 4-bromo-N-[rel-(2E,3aR,6aR)-5,5-dioxo-3-phenylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]benzamide |
| Molecular Weight: | 451.36 |
| Molecular Formula: | C18 H15 Br N2 O3 S2 |
| Smiles: | C1[C@@H]2[C@H](CS1(=O)=O)SC(=N/C(c1ccc(cc1)[Br])=O)/N2c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9853 |
| logD: | 2.9853 |
| logSw: | -3.3392 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.63 |
| InChI Key: | XYVKHSJRPUFYAB-UHFFFAOYSA-N |