7-(2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-(2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-(2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G115-0106 |
| Compound Name: | 7-(2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C17 H16 N2 O3 S3 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(N1CCSc2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5377 |
| logD: | 2.5375 |
| logSw: | -2.9951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.543 |
| InChI Key: | WBGCHRUQEVRAAY-UHFFFAOYSA-N |