rel-(3aR,6aR)-2-[2-chloro-5-(4-phenylpiperazine-1-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-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)anilino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)anilino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | K248-0111 |
| Compound Name: | rel-(3aR,6aR)-2-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)anilino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 491.03 |
| Molecular Formula: | C22 H23 Cl N4 O3 S2 |
| Smiles: | C1CN(CCN1C(c1ccc(c(c1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)[Cl])=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8397 |
| logD: | 2.8397 |
| logSw: | -3.5731 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.552 |
| InChI Key: | DAGKVQFRDHNEHB-UHFFFAOYSA-N |