N-{4-[1-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Chemical Structure Depiction of
N-{4-[1-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
N-{4-[1-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Compound characteristics
| Compound ID: | F714-0934 |
| Compound Name: | N-{4-[1-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide |
| Molecular Weight: | 497.63 |
| Molecular Formula: | C25 H27 N3 O4 S2 |
| Smiles: | CCC(Nc1ccc(cc1)S(N1CCc2ccccc2C1CC(NCc1cccs1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7417 |
| logD: | 3.7412 |
| logSw: | -3.882 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.292 |
| InChI Key: | YSTGTTWWFXSMIV-QHCPKHFHSA-N |