3-methyl-7-(4-phenylpiperazine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
3-methyl-7-(4-phenylpiperazine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
3-methyl-7-(4-phenylpiperazine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1727 |
| Compound Name: | 3-methyl-7-(4-phenylpiperazine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C20 H23 N3 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N1CCN(CC1)c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2513 |
| logD: | 3.2508 |
| logSw: | -3.6855 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.418 |
| InChI Key: | UGCVDFJSCDWZBI-OAHLLOKOSA-N |