5-[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
5-[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
5-[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | 8019-0688 |
| Compound Name: | 5-[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C22 H27 N3 O4 S2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(N1CCN(CC1)S(c1ccc2c(c1)NC(=O)S2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9637 |
| logD: | 3.9619 |
| logSw: | -4.166 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.587 |
| InChI Key: | DTIOCVRTFIUSBU-UHFFFAOYSA-N |