7-[4-(pyridin-2-yl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-(pyridin-2-yl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-(pyridin-2-yl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-2688 |
| Compound Name: | 7-[4-(pyridin-2-yl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C18 H20 N4 O3 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(N1CCN(CC1)c1ccccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.273 |
| logD: | 2.2485 |
| logSw: | -2.9693 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.873 |
| InChI Key: | XZSFGJXEAMQWML-UHFFFAOYSA-N |