N-{4-[1-(2-{[2-(furan-2-yl)ethyl]amino}-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Chemical Structure Depiction of
N-{4-[1-(2-{[2-(furan-2-yl)ethyl]amino}-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
N-{4-[1-(2-{[2-(furan-2-yl)ethyl]amino}-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Compound characteristics
| Compound ID: | F714-0959 |
| Compound Name: | N-{4-[1-(2-{[2-(furan-2-yl)ethyl]amino}-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C26 H29 N3 O5 S |
| Smiles: | CCC(Nc1ccc(cc1)S(N1CCc2ccccc2C1CC(NCCc1ccco1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1035 |
| logD: | 3.103 |
| logSw: | -3.4952 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.864 |
| InChI Key: | SJLCVUZHKZYRDM-DEOSSOPVSA-N |