2-[1-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)piperidin-4-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[1-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)piperidin-4-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-[1-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)piperidin-4-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | L798-0086 |
| Compound Name: | 2-[1-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)piperidin-4-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C26 H31 N3 O4 S |
| Smiles: | CC(N1CCc2cc(ccc12)S(N1CCC(CC1)CC(N1CCc2ccccc2C1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2119 |
| logD: | 3.2119 |
| logSw: | -3.6688 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.15 |
| InChI Key: | KWCVUJXYNGMFJE-UHFFFAOYSA-N |