1-[7-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[7-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
1-[7-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G269-0391 |
| Compound Name: | 1-[7-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one |
| Molecular Weight: | 499.69 |
| Molecular Formula: | C26 H33 N3 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(N1CCC(CC1)CN1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3715 |
| logD: | 2.8963 |
| logSw: | -4.2566 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 51.727 |
| InChI Key: | ZJJKZLJGYKNKEJ-UHFFFAOYSA-N |