7-([1,4'-bipiperidine]-1'-sulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-([1,4'-bipiperidine]-1'-sulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-([1,4'-bipiperidine]-1'-sulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1568 |
| Compound Name: | 7-([1,4'-bipiperidine]-1'-sulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 423.6 |
| Molecular Formula: | C20 H29 N3 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(N1CCC(CC1)N1CCCCC1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8167 |
| logD: | 0.5576 |
| logSw: | -3.4793 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.195 |
| InChI Key: | SBASDDVKESAWDR-OAHLLOKOSA-N |