rel-(3aR,6aR)-2-[4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)anilino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Chemical Structure Depiction of
rel-(3aR,6aR)-2-[4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)anilino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-[4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)anilino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | K248-0163 |
| Compound Name: | rel-(3aR,6aR)-2-[4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)anilino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C23 H23 N3 O3 S2 |
| Smiles: | C1CN(CC=C1c1ccccc1)C(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0533 |
| logD: | 3.0532 |
| logSw: | -3.5543 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.718 |
| InChI Key: | MRVYZKYRTCSLOV-UHFFFAOYSA-N |