4-bromo-N-[rel-(2Z,3aR,6aR)-3-(3-methoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]benzamide
Chemical Structure Depiction of
4-bromo-N-[rel-(2Z,3aR,6aR)-3-(3-methoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]benzamide
4-bromo-N-[rel-(2Z,3aR,6aR)-3-(3-methoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]benzamide
Compound characteristics
| Compound ID: | 6399-0035 |
| Compound Name: | 4-bromo-N-[rel-(2Z,3aR,6aR)-3-(3-methoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]benzamide |
| Molecular Weight: | 481.39 |
| Molecular Formula: | C19 H17 Br N2 O4 S2 |
| Smiles: | COc1cccc(c1)N1/C(=N/C(c2ccc(cc2)[Br])=O)S[C@H]2CS(C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2859 |
| logD: | 3.2859 |
| logSw: | -3.6137 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.174 |
| InChI Key: | IGYDGGFRFQEQOF-UHFFFAOYSA-N |