N-(4-{1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl}phenyl)propanamide
Chemical Structure Depiction of
N-(4-{1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl}phenyl)propanamide
N-(4-{1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl}phenyl)propanamide
Compound characteristics
| Compound ID: | F714-0939 |
| Compound Name: | N-(4-{1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl}phenyl)propanamide |
| Molecular Weight: | 498.64 |
| Molecular Formula: | C26 H34 N4 O4 S |
| Smiles: | CCC(Nc1ccc(cc1)S(N1CCc2ccccc2C1CC(N1CCN(CC)CC1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5201 |
| logD: | 2.1997 |
| logSw: | -2.8517 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.732 |
| InChI Key: | NHCTVUSQJOADRZ-DEOSSOPVSA-N |