N-{4-[1-(2-{[(3-fluorophenyl)methyl]amino}-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Chemical Structure Depiction of
N-{4-[1-(2-{[(3-fluorophenyl)methyl]amino}-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
N-{4-[1-(2-{[(3-fluorophenyl)methyl]amino}-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Compound characteristics
| Compound ID: | F714-0962 |
| Compound Name: | N-{4-[1-(2-{[(3-fluorophenyl)methyl]amino}-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide |
| Molecular Weight: | 509.6 |
| Molecular Formula: | C27 H28 F N3 O4 S |
| Smiles: | CCC(Nc1ccc(cc1)S(N1CCc2ccccc2C1CC(NCc1cccc(c1)F)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9308 |
| logD: | 3.9302 |
| logSw: | -3.8933 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.274 |
| InChI Key: | FBXVFJSZBKFLEV-VWLOTQADSA-N |