N-{4-[1-(2-{[(2-methylphenyl)methyl]amino}-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Chemical Structure Depiction of
N-{4-[1-(2-{[(2-methylphenyl)methyl]amino}-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
N-{4-[1-(2-{[(2-methylphenyl)methyl]amino}-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Compound characteristics
| Compound ID: | F714-0961 |
| Compound Name: | N-{4-[1-(2-{[(2-methylphenyl)methyl]amino}-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C28 H31 N3 O4 S |
| Smiles: | CCC(Nc1ccc(cc1)S(N1CCc2ccccc2C1CC(NCc1ccccc1C)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6547 |
| logD: | 4.6541 |
| logSw: | -4.2078 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.274 |
| InChI Key: | XJVXBNAKBMNSIA-SANMLTNESA-N |