7-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-2702 |
| Compound Name: | 7-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C17 H19 N5 O3 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(N1CCN(CC1)c1ncccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.77 |
| logD: | 1.7697 |
| logSw: | -2.6602 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.724 |
| InChI Key: | WELPNFXILQGNTF-UHFFFAOYSA-N |