N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(4-methylbenzene-1-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(4-methylbenzene-1-sulfonyl)piperidine-3-carboxamide
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(4-methylbenzene-1-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | D216-0611 |
| Compound Name: | N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(4-methylbenzene-1-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C22 H27 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1)S(N1CCCC(C1)C(Nc1nc2CC(C)(C)CC(c2s1)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5842 |
| logD: | 2.4857 |
| logSw: | -3.7038 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.69 |
| InChI Key: | CBDHRHIVWOJPHC-HNNXBMFYSA-N |