2-[7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | G640-0390 |
| Compound Name: | 2-[7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C20 H27 N3 O6 S2 |
| Smiles: | C1CC(CNC(CN2C(CCSc3ccc(cc23)S(N2CCOCC2)(=O)=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7014 |
| logD: | 0.7014 |
| logSw: | -2.4671 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.695 |
| InChI Key: | KVJONFNDVMTIBN-OAHLLOKOSA-N |