N-{4-[1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Chemical Structure Depiction of
N-{4-[1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
N-{4-[1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Compound characteristics
Compound ID: | F714-0921 |
Compound Name: | N-{4-[1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide |
Molecular Weight: | 485.6 |
Molecular Formula: | C25 H31 N3 O5 S |
Smiles: | CCC(Nc1ccc(cc1)S(N1CCc2ccccc2C1CC(NCC1CCCO1)=O)(=O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.2222 |
logD: | 2.2216 |
logSw: | -2.7649 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.928 |
InChI Key: | RESMBQKQSWLZMW-UHFFFAOYSA-N |