7-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutane-2-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutane-2-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutane-2-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | L705-0479 |
| Compound Name: | 7-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutane-2-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C22 H24 N2 O4 S2 |
| Smiles: | CC(CC(N1CCc2ccccc2C1)=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4661 |
| logD: | 2.466 |
| logSw: | -2.9951 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.945 |
| InChI Key: | FFZNRMYCIYDNKT-HNNXBMFYSA-N |