N-[rel-(2Z,3aR,6aR)-3-(4-bromophenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-nitrobenzamide
Chemical Structure Depiction of
N-[rel-(2Z,3aR,6aR)-3-(4-bromophenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-nitrobenzamide
N-[rel-(2Z,3aR,6aR)-3-(4-bromophenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 6399-0032 |
| Compound Name: | N-[rel-(2Z,3aR,6aR)-3-(4-bromophenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-nitrobenzamide |
| Molecular Weight: | 496.36 |
| Molecular Formula: | C18 H14 Br N3 O5 S2 |
| Smiles: | C1[C@@H]2[C@H](CS1(=O)=O)SC(=N/C(c1cccc(c1)[N+]([O-])=O)=O)\N2c1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9687 |
| logD: | 2.9687 |
| logSw: | -3.448 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.011 |
| InChI Key: | WIZCNUYFXIYUMS-UHFFFAOYSA-N |