7-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G115-0104 |
| Compound Name: | 7-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 376.45 |
| Molecular Formula: | C17 H16 N2 O4 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(N1CCOc2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2985 |
| logD: | 2.2983 |
| logSw: | -3.0331 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.494 |
| InChI Key: | YEOTZRYHLJHLQJ-UHFFFAOYSA-N |