N-{4-[1-(2-oxo-2-{[(pyridin-2-yl)methyl]amino}ethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Chemical Structure Depiction of
N-{4-[1-(2-oxo-2-{[(pyridin-2-yl)methyl]amino}ethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
N-{4-[1-(2-oxo-2-{[(pyridin-2-yl)methyl]amino}ethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Compound characteristics
| Compound ID: | F714-0883 |
| Compound Name: | N-{4-[1-(2-oxo-2-{[(pyridin-2-yl)methyl]amino}ethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C26 H28 N4 O4 S |
| Smiles: | CCC(Nc1ccc(cc1)S(N1CCc2ccccc2C1CC(NCc1ccccn1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8569 |
| logD: | 2.8561 |
| logSw: | -3.5194 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.817 |
| InChI Key: | BQVCTQJIXIHVQU-DEOSSOPVSA-N |