2-[3-methyl-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-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[3-methyl-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: | G640-0834 |
| Compound Name: | 2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 483.6 |
| Molecular Formula: | C21 H29 N3 O6 S2 |
| Smiles: | CC1CSc2ccc(cc2N(CC(NCC2CCCO2)=O)C1=O)S(N1CCOCC1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9526 |
| logD: | 0.9526 |
| logSw: | -2.5753 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.418 |
| InChI Key: | MUGBPDADSOBYSC-UHFFFAOYSA-N |