7-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-2828 |
| Compound Name: | 7-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 471.64 |
| Molecular Formula: | C24 H29 N3 O3 S2 |
| Smiles: | C1CN(CCC1CN1CCc2ccccc2C1)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6156 |
| logD: | 2.1404 |
| logSw: | -3.8824 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.496 |
| InChI Key: | GPGIIEKVVHMQBF-UHFFFAOYSA-N |