N-(4-{1-[2-(3,5-dimethylanilino)-2-oxoethyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl}phenyl)propanamide
Chemical Structure Depiction of
N-(4-{1-[2-(3,5-dimethylanilino)-2-oxoethyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl}phenyl)propanamide
N-(4-{1-[2-(3,5-dimethylanilino)-2-oxoethyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl}phenyl)propanamide
Compound characteristics
| Compound ID: | F714-0924 |
| Compound Name: | N-(4-{1-[2-(3,5-dimethylanilino)-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(Nc1cc(C)cc(C)c1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.844 |
| logD: | 4.8434 |
| logSw: | -4.4851 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.952 |
| InChI Key: | IKAYSMPIKDDZAV-SANMLTNESA-N |