rel-(3aR,6aR)-2-{2-chloro-5-[4-(3-methoxyphenyl)piperazine-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-(3-methoxyphenyl)piperazine-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-(3-methoxyphenyl)piperazine-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: | K248-0142 |
| Compound Name: | rel-(3aR,6aR)-2-{2-chloro-5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 521.06 |
| Molecular Formula: | C23 H25 Cl N4 O4 S2 |
| Smiles: | COc1cccc(c1)N1CCN(CC1)C(c1ccc(c(c1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)[Cl])=O |
| Stereo: | RELATIVE |
| logP: | 2.9477 |
| logD: | 2.9477 |
| logSw: | -3.6574 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.096 |
| InChI Key: | KNKGXRPCWHKEMY-UHFFFAOYSA-N |